methyl 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2-[(2-methylphenyl)methyl]-4-oxidanylidene-butanoate; methyl 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2-[(4-methylphenyl)methyl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2-[(2-methylphenyl)methyl]-4-oxidanylidene-butanoate; methyl 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2-[(4-methylphenyl)methyl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2-(o-tolylmethyl)-4-oxo-butanoate; methyl 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-4-oxo-2-(p-tolylmethyl)butanoate CAS Name: 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2-[(2-methylphenyl)methyl]-4-oxobutanoic acid methyl ester; 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2-[(4-methylphenyl)methyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2-[(2-methylphenyl)methyl]-4-oxobutanoate; methyl 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2-[(4-methylphenyl)methyl]-4-oxobutanoate Traditional Name: 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-4-keto-2-(2-methylbenzyl)butyric acid methyl ester; 4-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-4-keto-2-(4-methylbenzyl)butyric acid methyl ester Formula: C42H58N2O6 MolecularWeight: 686.91972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(CC(=O)N2CC3CCCCC3C2)C(=O)OC.CC1=CC=CC=C1CC(CC(=O)N2CC3CCCCC3C2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CC(CC(=O)N2CC3CCCCC3C2)C(=O)OC.CC1=CC=CC=C1CC(CC(=O)N2CC3CCCCC3C2)C(=O)OC

InChI

InChI=1S/2C21H29NO3/c1-15-7-3-4-8-16(15)11-19(21(24)25-2)12-20(23)22-13-17-9-5-6-10-18(17)14-22;1-15-7-9-16(10-8-15)11-19(21(24)25-2)12-20(23)22-13-17-5-3-4-6-18(17)14-22/h3-4,7-8,17-19H,5-6,9-14H2,1-2H3;7-10,17-19H,3-6,11-14H2,1-2H3