1-[(5-chloranyl-2-methoxy-phenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]isonipecotic acid Formula: C29H32ClNO5 MolecularWeight: 510.02108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=C(C=CC(=C2)Cl)OC)N3CCC(CC3)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=C(C=CC(=C2)Cl)OC)N3CCC(CC3)C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H32ClNO5/c1-3-35-27-17-22(9-11-26(27)36-19-20-7-5-4-6-8-20)28(24-18-23(30)10-12-25(24)34-2)31-15-13-21(14-16-31)29(32)33/h4-12,17-18,21,28H,3,13-16,19H2,1-2H3,(H,32,33)