methyl 3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohept-2-en-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohept-2-en-1-yl]methyl]benzoate Openeye Name: methyl 3-[[2-(4,5-diphenyloxazol-2-yl)cyclohept-2-en-1-yl]methyl]benzoate CAS Name: 3-[[2-(4,5-diphenyl-2-oxazolyl)-1-cyclohept-2-enyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohept-2-en-1-yl]methyl]benzoate Traditional Name: 3-[[2-(4,5-diphenyloxazol-2-yl)cyclohept-2-en-1-yl]methyl]benzoic acid methyl ester Formula: C31H29NO3 MolecularWeight: 463.56686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CC2CCCCC=C2C3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CC2CCCCC=C2C3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H29NO3/c1-34-31(33)26-18-11-12-22(21-26)20-25-17-9-4-10-19-27(25)30-32-28(23-13-5-2-6-14-23)29(35-30)24-15-7-3-8-16-24/h2-3,5-8,11-16,18-19,21,25H,4,9-10,17,20H2,1H3