1-[(5-chloranyl-2-methoxy-phenyl)-(1H-indol-3-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(1H-indol-3-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-chloro-2-methoxy-phenyl)-(1H-indol-3-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(1H-indol-3-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(1H-indol-3-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-chloro-2-methoxy-phenyl)-(1H-indol-3-yl)methyl]isonipecotic acid Formula: C22H23ClN2O3 MolecularWeight: 398.88262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(C2=CNC3=CC=CC=C32)N4CCC(CC4)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(C2=CNC3=CC=CC=C32)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C22H23ClN2O3/c1-28-20-7-6-15(23)12-17(20)21(25-10-8-14(9-11-25)22(26)27)18-13-24-19-5-3-2-4-16(18)19/h2-7,12-14,21,24H,8-11H2,1H3,(H,26,27)