1-[(4-ethoxy-3-methoxy-phenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(p-tolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-ethoxy-3-methoxyphenyl)-(4-methylphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-ethoxy-3-methoxyphenyl)-(4-methylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-ethoxy-3-methoxy-phenyl)-(p-tolyl)methyl]pipecolinic acid Formula: C23H29NO4 MolecularWeight: 383.48066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC=C(C=C2)C)N3CCCCC3C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC=C(C=C2)C)N3CCCCC3C(=O)O)OC

InChI

InChI=1S/C23H29NO4/c1-4-28-20-13-12-18(15-21(20)27-3)22(17-10-8-16(2)9-11-17)24-14-6-5-7-19(24)23(25)26/h8-13,15,19,22H,4-7,14H2,1-3H3,(H,25,26)