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

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-phenyl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-phenyl-methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-phenylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-phenylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-phenyl-methyl]nipecotic acid Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31NO4/c1-2-32-26-18-23(15-16-25(26)33-20-21-10-5-3-6-11-21)27(22-12-7-4-8-13-22)29-17-9-14-24(19-29)28(30)31/h3-8,10-13,15-16,18,24,27H,2,9,14,17,19-20H2,1H3,(H,30,31)