1-[(4-ethylphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-ethylphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-ethylphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-ethylphenyl)-(3,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-ethylphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-ethylphenyl)-(3,4,5-trimethoxyphenyl)methyl]isonipecotic acid Formula: C24H31NO5 MolecularWeight: 413.50664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC(=C(C(=C2)OC)OC)OC)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC(=C(C(=C2)OC)OC)OC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C24H31NO5/c1-5-16-6-8-17(9-7-16)22(25-12-10-18(11-13-25)24(26)27)19-14-20(28-2)23(30-4)21(15-19)29-3/h6-9,14-15,18,22H,5,10-13H2,1-4H3,(H,26,27)