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

Systemtic Name: 1-[2-[(1,5-dimethylindol-2-yl)carbonylamino]-3-phenyl-propanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-phenyl-propanoyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[(1,5-dimethyl-2-indolyl)-oxomethyl]amino]-1-oxo-3-phenylpropyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-phenylpropanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-phenyl-propanoyl]isonipecotic acid Formula: C26H29N3O4 MolecularWeight: 447.52616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)N4CCC(CC4)C(=O)O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)N4CCC(CC4)C(=O)O)C

InChI

InChI=1S/C26H29N3O4/c1-17-8-9-22-20(14-17)16-23(28(22)2)24(30)27-21(15-18-6-4-3-5-7-18)25(31)29-12-10-19(11-13-29)26(32)33/h3-9,14,16,19,21H,10-13,15H2,1-2H3,(H,27,30)(H,32,33)