4-[[[4-(4-cyclopentyloxyphenyl)-1,3-thiazol-2-yl]-propan-2-yl-amino]methyl]benzoic acid

Systemtic Name: 4-[[[4-(4-cyclopentyloxyphenyl)-1,3-thiazol-2-yl]-propan-2-yl-amino]methyl]benzoic acid Openeye Name: 4-[[[4-[4-(cyclopentoxy)phenyl]thiazol-2-yl]-isopropyl-amino]methyl]benzoic acid CAS Name: 4-[[[4-(4-cyclopentyloxyphenyl)-2-thiazolyl]-propan-2-ylamino]methyl]benzoic acid IUPAC Name: 4-[[[4-(4-cyclopentyloxyphenyl)-1,3-thiazol-2-yl]-propan-2-ylamino]methyl]benzoic acid Traditional Name: 4-[[[4-[4-(cyclopentoxy)phenyl]thiazol-2-yl]-isopropyl-amino]methyl]benzoic acid Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=C(C=C1)C(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)OC4CCCC4

Isomeric SMILES

CC(C)N(CC1=CC=C(C=C1)C(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)OC4CCCC4

InChI

InChI=1S/C25H28N2O3S/c1-17(2)27(15-18-7-9-20(10-8-18)24(28)29)25-26-23(16-31-25)19-11-13-22(14-12-19)30-21-5-3-4-6-21/h7-14,16-17,21H,3-6,15H2,1-2H3,(H,28,29)