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

Systemtic Name: 1-[2-[(1,5-dimethylindol-2-yl)carbonylamino]propanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[(1,5-dimethylindole-2-carbonyl)amino]propanoyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[(1,5-dimethyl-2-indolyl)-oxomethyl]amino]-1-oxopropyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(1,5-dimethylindole-2-carbonyl)amino]propanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(1,5-dimethylindole-2-carbonyl)amino]propanoyl]isonipecotic acid Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4/c1-12-4-5-16-15(10-12)11-17(22(16)3)18(24)21-13(2)19(25)23-8-6-14(7-9-23)20(26)27/h4-5,10-11,13-14H,6-9H2,1-3H3,(H,21,24)(H,26,27)