1-[(3,4-diethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3,4-diethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-(4-phenylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-(4-phenylphenyl)methyl]nipecotic acid Formula: C29H33NO4 MolecularWeight: 459.57662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCC(C4)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCC(C4)C(=O)O)OCC

InChI

InChI=1S/C29H33NO4/c1-3-33-26-17-16-24(19-27(26)34-4-2)28(30-18-8-11-25(20-30)29(31)32)23-14-12-22(13-15-23)21-9-6-5-7-10-21/h5-7,9-10,12-17,19,25,28H,3-4,8,11,18,20H2,1-2H3,(H,31,32)