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

Systemtic Name: 3-[[cyclopentyl-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]methyl]benzoic acid Openeye Name: 3-[[cyclopentyl-[4-(4-isopropylphenyl)thiazol-2-yl]amino]methyl]benzoic acid CAS Name: 3-[[cyclopentyl-[4-(4-propan-2-ylphenyl)-2-thiazolyl]amino]methyl]benzoic acid IUPAC Name: 3-[[cyclopentyl-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]methyl]benzoic acid Traditional Name: 3-[[cyclopentyl-(4-p-cumenylthiazol-2-yl)amino]methyl]benzoic acid Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=CSC(=N2)N(CC3=CC=CC(=C3)C(=O)O)C4CCCC4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=CSC(=N2)N(CC3=CC=CC(=C3)C(=O)O)C4CCCC4

InChI

InChI=1S/C25H28N2O2S/c1-17(2)19-10-12-20(13-11-19)23-16-30-25(26-23)27(22-8-3-4-9-22)15-18-6-5-7-21(14-18)24(28)29/h5-7,10-14,16-17,22H,3-4,8-9,15H2,1-2H3,(H,28,29)