4-[5-(3-cyclopentyloxy-4-methoxy-phenyl)-3-[(4-oxidanylpiperidin-1-yl)methyl]thiophen-2-yl]benzoic acid

Systemtic Name: 4-[5-(3-cyclopentyloxy-4-methoxy-phenyl)-3-[(4-oxidanylpiperidin-1-yl)methyl]thiophen-2-yl]benzoic acid Openeye Name: 4-[5-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-[(4-hydroxy-1-piperidyl)methyl]-2-thienyl]benzoic acid CAS Name: 4-[5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(4-hydroxy-1-piperidinyl)methyl]-2-thiophenyl]benzoic acid IUPAC Name: 4-[5-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(4-hydroxypiperidin-1-yl)methyl]thiophen-2-yl]benzoic acid Traditional Name: 4-[5-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-[(4-hydroxypiperidino)methyl]-2-thienyl]benzoic acid Formula: C29H33NO5S MolecularWeight: 507.64102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=C(S2)C3=CC=C(C=C3)C(=O)O)CN4CCC(CC4)O)OC5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=C(S2)C3=CC=C(C=C3)C(=O)O)CN4CCC(CC4)O)OC5CCCC5

InChI

InChI=1S/C29H33NO5S/c1-34-25-11-10-21(16-26(25)35-24-4-2-3-5-24)27-17-22(18-30-14-12-23(31)13-15-30)28(36-27)19-6-8-20(9-7-19)29(32)33/h6-11,16-17,23-24,31H,2-5,12-15,18H2,1H3,(H,32,33)