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

Systemtic Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(4-methoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(4-methoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-ethoxy-3-methoxyphenyl)-(4-methoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-ethoxy-3-methoxyphenyl)-(4-methoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(4-methoxyphenyl)methyl]isonipecotic acid Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC=C(C=C2)OC)N3CCC(CC3)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC=C(C=C2)OC)N3CCC(CC3)C(=O)O)OC

InChI

InChI=1S/C23H29NO5/c1-4-29-20-10-7-18(15-21(20)28-3)22(16-5-8-19(27-2)9-6-16)24-13-11-17(12-14-24)23(25)26/h5-10,15,17,22H,4,11-14H2,1-3H3,(H,25,26)