1-[4-bromanyl-2-(3-oxidanylidene-2,3-diphenyl-propyl)cyclohexa-1,3-dien-1-yl]ethyl 2-methylpropanoate

Systemtic Name: 1-[4-bromanyl-2-(3-oxidanylidene-2,3-diphenyl-propyl)cyclohexa-1,3-dien-1-yl]ethyl 2-methylpropanoate Openeye Name: 1-[4-bromo-2-(3-oxo-2,3-diphenyl-propyl)cyclohexa-1,3-dien-1-yl]ethyl 2-methylpropanoate CAS Name: 2-methylpropanoic acid 1-[4-bromo-2-(3-oxo-2,3-diphenylpropyl)-1-cyclohexa-1,3-dienyl]ethyl ester IUPAC Name: 1-[4-bromo-2-(3-oxo-2,3-diphenylpropyl)cyclohexa-1,3-dien-1-yl]ethyl 2-methylpropanoate Traditional Name: 2-methylpropionic acid 1-[4-bromo-2-(3-keto-2,3-diphenyl-propyl)cyclohexa-1,3-dien-1-yl]ethyl ester Formula: C27H29BrO3 MolecularWeight: 481.42136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC(C)C1=C(C=C(CC1)Br)CC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)OC(C)C1=C(C=C(CC1)Br)CC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H29BrO3/c1-18(2)27(30)31-19(3)24-15-14-23(28)16-22(24)17-25(20-10-6-4-7-11-20)26(29)21-12-8-5-9-13-21/h4-13,16,18-19,25H,14-15,17H2,1-3H3