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

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(4-methoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(4-methoxyphenyl)methyl]pipecolinic 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)N3CCCCC3C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC=C(C=C2)OC)N3CCCCC3C(=O)O)OCC4=CC=CC=C4

InChI

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