1-[2-[(1,5-dimethylindol-2-yl)carbonylamino]-3-methyl-pentanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(1,5-dimethylindol-2-yl)carbonylamino]-3-methyl-pentanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-methyl-pentanoyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[(1,5-dimethyl-2-indolyl)-oxomethyl]amino]-3-methyl-1-oxopentyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-methylpentanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-methyl-pentanoyl]isonipecotic acid Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCC(CC1)C(=O)O)NC(=O)C2=CC3=C(N2C)C=CC(=C3)C

Isomeric SMILES

CCC(C)C(C(=O)N1CCC(CC1)C(=O)O)NC(=O)C2=CC3=C(N2C)C=CC(=C3)C

InChI

InChI=1S/C23H31N3O4/c1-5-15(3)20(22(28)26-10-8-16(9-11-26)23(29)30)24-21(27)19-13-17-12-14(2)6-7-18(17)25(19)4/h6-7,12-13,15-16,20H,5,8-11H2,1-4H3,(H,24,27)(H,29,30)