2-[4-[3-[4-(diphenylmethyl)piperidin-1-yl]propoxy]-3-methoxy-phenyl]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[4-[3-[4-(diphenylmethyl)piperidin-1-yl]propoxy]-3-methoxy-phenyl]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-[3-(4-benzhydryl-1-piperidyl)propoxy]-3-methoxy-phenyl]-2-oxo-acetic acid CAS Name: 2-[4-[3-[4-(diphenylmethyl)-1-piperidinyl]propoxy]-3-methoxyphenyl]-2-oxoacetic acid IUPAC Name: 2-[4-[3-(4-benzhydrylpiperidin-1-yl)propoxy]-3-methoxyphenyl]-2-oxoacetic acid Traditional Name: 2-[4-[3-(4-benzhydrylpiperidino)propoxy]-3-methoxy-phenyl]-2-keto-acetic acid Formula: C30H33NO5 MolecularWeight: 487.58672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)C(=O)O)OCCCN2CCC(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)C(=O)O)OCCCN2CCC(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H33NO5/c1-35-27-21-25(29(32)30(33)34)13-14-26(27)36-20-8-17-31-18-15-24(16-19-31)28(22-9-4-2-5-10-22)23-11-6-3-7-12-23/h2-7,9-14,21,24,28H,8,15-20H2,1H3,(H,33,34)