5-[4-(phenylmethyl)piperidin-1-yl]carbonyl-1H-indole-3-carboxylic acid

Systemtic Name: 5-[4-(phenylmethyl)piperidin-1-yl]carbonyl-1H-indole-3-carboxylic acid Openeye Name: 5-(4-benzylpiperidine-1-carbonyl)-1H-indole-3-carboxylic acid CAS Name: 5-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-1H-indole-3-carboxylic acid IUPAC Name: 5-(4-benzylpiperidine-1-carbonyl)-1H-indole-3-carboxylic acid Traditional Name: 5-(4-benzylpiperidine-1-carbonyl)-1H-indole-3-carboxylic acid Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)NC=C4C(=O)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)NC=C4C(=O)O

InChI

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