methyl 3-[[2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(3-methoxypropyl)-1,3-dioxo-isoindoline-5-carbonyl]amino]-4-methyl-benzoate CAS Name: 3-[[[2-(3-methoxypropyl)-1,3-dioxo-5-isoindolyl]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]amino]-4-methylbenzoate Traditional Name: 3-[[1,3-diketo-2-(3-methoxypropyl)isoindoline-5-carbonyl]amino]-4-methyl-benzoic acid methyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCCOC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCCOC

InChI

InChI=1S/C22H22N2O6/c1-13-5-6-15(22(28)30-3)12-18(13)23-19(25)14-7-8-16-17(11-14)21(27)24(20(16)26)9-4-10-29-2/h5-8,11-12H,4,9-10H2,1-3H3,(H,23,25)