[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate CAS Name: (E)-3-(4-bromophenyl)-2-propenoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] (E)-3-(4-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(4-bromophenyl)acrylic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C19H21BrN2O3 MolecularWeight: 405.28564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C=CC1=CC=C(C=C1)Br)C2(CCCCC2)C#N

Isomeric SMILES

CN(C(=O)COC(=O)/C=C/C1=CC=C(C=C1)Br)C2(CCCCC2)C#N

InChI

InChI=1S/C19H21BrN2O3/c1-22(19(14-21)11-3-2-4-12-19)17(23)13-25-18(24)10-7-15-5-8-16(20)9-6-15/h5-10H,2-4,11-13H2,1H3/b10-7+