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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O3/c1-22(19(14-21)10-3-2-4-11-19)17(23)13-25-18(24)9-8-15-6-5-7-16(20)12-15/h5-9,12H,2-4,10-11,13H2,1H3/b9-8+