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

Systemtic Name: 1-[(5-chloranyl-2-methoxy-phenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-chloro-2-methoxyphenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-chloro-2-methoxyphenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(5-chloro-2-methoxy-phenyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=C(C=CC(=C2)Cl)OC)N3CCCC(C3)C(=O)O)OCC4=CC=CC=C4

InChI

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