[2-(cycloheptylamino)-2-oxidanylidene-ethyl] (E)-3-(3-bromophenyl)prop-2-enoate

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] (E)-3-(3-bromophenyl)prop-2-enoate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] (E)-3-(3-bromophenyl)prop-2-enoate CAS Name: (E)-3-(3-bromophenyl)-2-propenoic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] (E)-3-(3-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromophenyl)acrylic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C18H22BrNO3 MolecularWeight: 380.27618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)COC(=O)C=CC2=CC(=CC=C2)Br

Isomeric SMILES

C1CCCC(CC1)NC(=O)COC(=O)/C=C/C2=CC(=CC=C2)Br

InChI

InChI=1S/C18H22BrNO3/c19-15-7-5-6-14(12-15)10-11-18(22)23-13-17(21)20-16-8-3-1-2-4-9-16/h5-7,10-12,16H,1-4,8-9,13H2,(H,20,21)/b11-10+