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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2)C(=O)NC(CC(C)C)C(=O)N3CCC(CC3)C(=O)O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2)C(=O)NC(CC(C)C)C(=O)N3CCC(CC3)C(=O)O)C

InChI

InChI=1S/C23H31N3O4/c1-14(2)11-18(22(28)26-9-7-16(8-10-26)23(29)30)24-21(27)20-13-17-12-15(3)5-6-19(17)25(20)4/h5-6,12-14,16,18H,7-11H2,1-4H3,(H,24,27)(H,29,30)