ethyl 4-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl-pentyl-amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl-pentyl-amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl-pentyl-amino]-4-oxo-butanoate CAS Name: 4-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl-pentylamino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl-pentylamino]-4-oxobutanoate Traditional Name: 4-[amyl-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]amino]-4-keto-butyric acid ethyl ester Formula: C24H34N2O3 MolecularWeight: 398.53836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=CN1CC2=CC=CC(=C2)C)C(=O)CCC(=O)OCC

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC=CC(=C2)C)C(=O)CCC(=O)OCC

InChI

InChI=1S/C24H34N2O3/c1-4-6-7-15-26(23(27)13-14-24(28)29-5-2)19-22-12-9-16-25(22)18-21-11-8-10-20(3)17-21/h8-12,16-17H,4-7,13-15,18-19H2,1-3H3