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

Systemtic Name: 4-[3-(butylaminomethyl)-5-(3-cyclopentyloxy-4-methoxy-phenyl)thiophen-2-yl]benzoic acid Openeye Name: 4-[3-(butylaminomethyl)-5-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-thienyl]benzoic acid CAS Name: 4-[3-(butylaminomethyl)-5-(3-cyclopentyloxy-4-methoxyphenyl)-2-thiophenyl]benzoic acid IUPAC Name: 4-[3-(butylaminomethyl)-5-(3-cyclopentyloxy-4-methoxyphenyl)thiophen-2-yl]benzoic acid Traditional Name: 4-[3-(butylaminomethyl)-5-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-thienyl]benzoic acid Formula: C28H33NO4S MolecularWeight: 479.63092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=C(SC(=C1)C2=CC(=C(C=C2)OC)OC3CCCC3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCCCNCC1=C(SC(=C1)C2=CC(=C(C=C2)OC)OC3CCCC3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C28H33NO4S/c1-3-4-15-29-18-22-17-26(34-27(22)19-9-11-20(12-10-19)28(30)31)21-13-14-24(32-2)25(16-21)33-23-7-5-6-8-23/h9-14,16-17,23,29H,3-8,15,18H2,1-2H3,(H,30,31)