1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(4-methoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(4-methoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(4-methoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(4-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(4-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(4-methoxyphenyl)methyl]nipecotic acid Formula: C29H33NO5 MolecularWeight: 475.57602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33NO5/c1-3-34-27-18-23(13-16-26(27)35-20-21-8-5-4-6-9-21)28(22-11-14-25(33-2)15-12-22)30-17-7-10-24(19-30)29(31)32/h4-6,8-9,11-16,18,24,28H,3,7,10,17,19-20H2,1-2H3,(H,31,32)