methyl 4-methyl-2-[2-[1-(1-methylindol-3-yl)-3-oxidanylidene-1H-isoindol-2-yl]propanoylamino]pentanoate

Systemtic Name: methyl 4-methyl-2-[2-[1-(1-methylindol-3-yl)-3-oxidanylidene-1H-isoindol-2-yl]propanoylamino]pentanoate Openeye Name: methyl 4-methyl-2-[2-[1-(1-methylindol-3-yl)-3-oxo-isoindolin-2-yl]propanoylamino]pentanoate CAS Name: 4-methyl-2-[[2-[1-(1-methyl-3-indolyl)-3-oxo-1H-isoindol-2-yl]-1-oxopropyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 4-methyl-2-[2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]propanoylamino]pentanoate Traditional Name: 2-[2-[1-keto-3-(1-methylindol-3-yl)isoindolin-2-yl]propanoylamino]-4-methyl-valeric acid methyl ester Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C(C)N1C(C2=CC=CC=C2C1=O)C3=CN(C4=CC=CC=C43)C

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)C(C)N1C(C2=CC=CC=C2C1=O)C3=CN(C4=CC=CC=C43)C

InChI

InChI=1S/C27H31N3O4/c1-16(2)14-22(27(33)34-5)28-25(31)17(3)30-24(19-11-6-7-12-20(19)26(30)32)21-15-29(4)23-13-9-8-10-18(21)23/h6-13,15-17,22,24H,14H2,1-5H3,(H,28,31)