[4-[(E)-[3-(dimethylaminomethyl)-2-oxidanylidene-cyclohexylidene]methyl]phenyl] (E)-3-(4-bromophenyl)prop-2-enoate

Systemtic Name: [4-[(E)-[3-(dimethylaminomethyl)-2-oxidanylidene-cyclohexylidene]methyl]phenyl] (E)-3-(4-bromophenyl)prop-2-enoate Openeye Name: [4-[(E)-[3-(dimethylaminomethyl)-2-oxo-cyclohexylidene]methyl]phenyl] (E)-3-(4-bromophenyl)prop-2-enoate CAS Name: (E)-3-(4-bromophenyl)-2-propenoic acid [4-[(E)-[3-(dimethylaminomethyl)-2-oxocyclohexylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[3-(dimethylaminomethyl)-2-oxocyclohexylidene]methyl]phenyl] (E)-3-(4-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(4-bromophenyl)acrylic acid [4-[(E)-[3-(dimethylaminomethyl)-2-keto-cyclohexylidene]methyl]phenyl] ester Formula: C25H26BrNO3 MolecularWeight: 468.38284

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CCCC(=CC2=CC=C(C=C2)OC(=O)C=CC3=CC=C(C=C3)Br)C1=O

Isomeric SMILES

CN(C)CC1CCC/C(=C\C2=CC=C(C=C2)OC(=O)/C=C/C3=CC=C(C=C3)Br)/C1=O

InChI

InChI=1S/C25H26BrNO3/c1-27(2)17-21-5-3-4-20(25(21)29)16-19-8-13-23(14-9-19)30-24(28)15-10-18-6-11-22(26)12-7-18/h6-16,21H,3-5,17H2,1-2H3/b15-10+,20-16+