3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohexyl]methyl]-5-methyl-benzoic acid

Systemtic Name: 3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohexyl]methyl]-5-methyl-benzoic acid Openeye Name: 3-[[2-(4,5-diphenyloxazol-2-yl)cyclohexyl]methyl]-5-methyl-benzoic acid CAS Name: 3-[[2-(4,5-diphenyl-2-oxazolyl)cyclohexyl]methyl]-5-methylbenzoic acid IUPAC Name: 3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohexyl]methyl]-5-methylbenzoic acid Traditional Name: 3-[[2-(4,5-diphenyloxazol-2-yl)cyclohexyl]methyl]-5-methyl-benzoic acid Formula: C30H29NO3 MolecularWeight: 451.55616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)O)CC2CCCCC2C3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)O)CC2CCCCC2C3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H29NO3/c1-20-16-21(19-25(17-20)30(32)33)18-24-14-8-9-15-26(24)29-31-27(22-10-4-2-5-11-22)28(34-29)23-12-6-3-7-13-23/h2-7,10-13,16-17,19,24,26H,8-9,14-15,18H2,1H3,(H,32,33)