1-[(3-ethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(3-ethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3-ethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-ethoxyphenyl)-(4-phenylphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[m-phenetyl-(4-phenylphenyl)methyl]pipecolinic acid Formula: C27H29NO3 MolecularWeight: 415.52406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCCC4C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCCC4C(=O)O

InChI

InChI=1S/C27H29NO3/c1-2-31-24-12-8-11-23(19-24)26(28-18-7-6-13-25(28)27(29)30)22-16-14-21(15-17-22)20-9-4-3-5-10-20/h3-5,8-12,14-17,19,25-26H,2,6-7,13,18H2,1H3,(H,29,30)