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

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-phenyl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-phenyl-methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-phenylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-phenylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-phenyl-methyl]isonipecotic 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)N3CCC(CC3)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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