3-[[2-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohex-2-en-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[2-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohex-2-en-1-yl]methyl]benzoic acid Openeye Name: 3-[[2-(4,5-diphenylthiazol-2-yl)cyclohex-2-en-1-yl]methyl]benzoic acid CAS Name: 3-[[2-(4,5-diphenyl-2-thiazolyl)-1-cyclohex-2-enyl]methyl]benzoic acid IUPAC Name: 3-[[2-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohex-2-en-1-yl]methyl]benzoic acid Traditional Name: 3-[[2-(4,5-diphenylthiazol-2-yl)cyclohex-2-en-1-yl]methyl]benzoic acid Formula: C29H25NO2S MolecularWeight: 451.5793

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C(C1)CC2=CC=CC(=C2)C(=O)O)C3=NC(=C(S3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC=C(C(C1)CC2=CC=CC(=C2)C(=O)O)C3=NC(=C(S3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H25NO2S/c31-29(32)24-16-9-10-20(19-24)18-23-15-7-8-17-25(23)28-30-26(21-11-3-1-4-12-21)27(33-28)22-13-5-2-6-14-22/h1-6,9-14,16-17,19,23H,7-8,15,18H2,(H,31,32)