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

Systemtic Name: 3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]-4-methyl-benzoic acid Openeye Name: 3-[[2-(4,5-diphenyloxazol-2-yl)cyclohex-2-en-1-yl]methyl]-4-methyl-benzoic acid CAS Name: 3-[[2-(4,5-diphenyl-2-oxazolyl)-1-cyclohex-2-enyl]methyl]-4-methylbenzoic acid IUPAC Name: 3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]-4-methylbenzoic acid Traditional Name: 3-[[2-(4,5-diphenyloxazol-2-yl)cyclohex-2-en-1-yl]methyl]-4-methyl-benzoic acid Formula: C30H27NO3 MolecularWeight: 449.54028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)CC2CCCC=C2C3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)CC2CCCC=C2C3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H27NO3/c1-20-16-17-24(30(32)33)19-25(20)18-23-14-8-9-15-26(23)29-31-27(21-10-4-2-5-11-21)28(34-29)22-12-6-3-7-13-22/h2-7,10-13,15-17,19,23H,8-9,14,18H2,1H3,(H,32,33)