methyl (E)-4-cyclohexa-2,5-dien-1-yl-4-phenyl-but-2-enoate

Systemtic Name: methyl (E)-4-cyclohexa-2,5-dien-1-yl-4-phenyl-but-2-enoate Openeye Name: methyl (E)-4-cyclohexa-2,5-dien-1-yl-4-phenyl-but-2-enoate CAS Name: (E)-4-(1-cyclohexa-2,5-dienyl)-4-phenyl-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-cyclohexa-2,5-dien-1-yl-4-phenylbut-2-enoate Traditional Name: (E)-4-cyclohexa-2,5-dien-1-yl-4-phenyl-but-2-enoic acid methyl ester Formula: C17H18O2 MolecularWeight: 254.32362

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(C1C=CCC=C1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)/C=C/C(C1C=CCC=C1)C2=CC=CC=C2

InChI

InChI=1S/C17H18O2/c1-19-17(18)13-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2,4-13,15-16H,3H2,1H3/b13-12+