1-(1H-indol-2-ylcarbonyl)-4-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(1H-indol-2-ylcarbonyl)-4-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 4-benzyl-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[1H-indol-2-yl(oxo)methyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 4-benzyl-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid Traditional Name: 4-benzyl-1-(1H-indole-2-carbonyl)isonipecotic acid Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC2=CC=CC=C2)C(=O)O)C(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

C1CN(CCC1(CC2=CC=CC=C2)C(=O)O)C(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C22H22N2O3/c25-20(19-14-17-8-4-5-9-18(17)23-19)24-12-10-22(11-13-24,21(26)27)15-16-6-2-1-3-7-16/h1-9,14,23H,10-13,15H2,(H,26,27)