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

Systemtic Name: 4-[5-(3-cyclopentyloxy-4-methoxy-phenyl)-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]benzoic acid Openeye Name: 4-[5-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-(pyrrolidin-1-ylmethyl)-2-thienyl]benzoic acid CAS Name: 4-[5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1-pyrrolidinylmethyl)-2-thiophenyl]benzoic acid IUPAC Name: 4-[5-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyrrolidin-1-ylmethyl)thiophen-2-yl]benzoic acid Traditional Name: 4-[5-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-(pyrrolidinomethyl)-2-thienyl]benzoic acid Formula: C28H31NO4S MolecularWeight: 477.61504

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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)CN4CCCC4)OC5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=C(S2)C3=CC=C(C=C3)C(=O)O)CN4CCCC4)OC5CCCC5

InChI

InChI=1S/C28H31NO4S/c1-32-24-13-12-21(16-25(24)33-23-6-2-3-7-23)26-17-22(18-29-14-4-5-15-29)27(34-26)19-8-10-20(11-9-19)28(30)31/h8-13,16-17,23H,2-7,14-15,18H2,1H3,(H,30,31)