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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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