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

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(3-methoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(3-methoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(3-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(=CC=C2)OC)N3CCCCC3C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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