ethyl 4-[[3-methyl-2-[1-(1-methylindol-3-yl)-3-oxidanylidene-1H-isoindol-2-yl]pentanoyl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[3-methyl-2-[1-(1-methylindol-3-yl)-3-oxidanylidene-1H-isoindol-2-yl]pentanoyl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[3-methyl-2-[1-(1-methylindol-3-yl)-3-oxo-isoindolin-2-yl]pentanoyl]amino]piperidine-1-carboxylate CAS Name: 4-[[3-methyl-2-[1-(1-methyl-3-indolyl)-3-oxo-1H-isoindol-2-yl]-1-oxopentyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-methyl-2-[1-(1-methylindol-3-yl)-3-oxo-1H-isoindol-2-yl]pentanoyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[1-keto-3-(1-methylindol-3-yl)isoindolin-2-yl]-3-methyl-pentanoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C31H38N4O4 MolecularWeight: 530.65782

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1CCN(CC1)C(=O)OCC)N2C(C3=CC=CC=C3C2=O)C4=CN(C5=CC=CC=C54)C

Isomeric SMILES

CCC(C)C(C(=O)NC1CCN(CC1)C(=O)OCC)N2C(C3=CC=CC=C3C2=O)C4=CN(C5=CC=CC=C54)C

InChI

InChI=1S/C31H38N4O4/c1-5-20(3)27(29(36)32-21-15-17-34(18-16-21)31(38)39-6-2)35-28(23-12-7-8-13-24(23)30(35)37)25-19-33(4)26-14-10-9-11-22(25)26/h7-14,19-21,27-28H,5-6,15-18H2,1-4H3,(H,32,36)