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

Systemtic Name: 4-[[4-[4-(4-cyclohexylbutanoylamino)phenyl]-1,3-thiazol-2-yl]-propan-2-yl-amino]benzoic acid Openeye Name: 4-[[4-[4-(4-cyclohexylbutanoylamino)phenyl]thiazol-2-yl]-isopropyl-amino]benzoic acid CAS Name: 4-[[4-[4-[(4-cyclohexyl-1-oxobutyl)amino]phenyl]-2-thiazolyl]-propan-2-ylamino]benzoic acid IUPAC Name: 4-[[4-[4-(4-cyclohexylbutanoylamino)phenyl]-1,3-thiazol-2-yl]-propan-2-ylamino]benzoic acid Traditional Name: 4-[[4-[4-(4-cyclohexylbutanoylamino)phenyl]thiazol-2-yl]-isopropyl-amino]benzoic acid Formula: C29H35N3O3S MolecularWeight: 505.6715

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=C(C=C1)C(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)NC(=O)CCCC4CCCCC4

Isomeric SMILES

CC(C)N(C1=CC=C(C=C1)C(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)NC(=O)CCCC4CCCCC4

InChI

InChI=1S/C29H35N3O3S/c1-20(2)32(25-17-13-23(14-18-25)28(34)35)29-31-26(19-36-29)22-11-15-24(16-12-22)30-27(33)10-6-9-21-7-4-3-5-8-21/h11-21H,3-10H2,1-2H3,(H,30,33)(H,34,35)