[2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] (E)-3-(3-bromophenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] (E)-3-(3-bromophenyl)prop-2-enoate Openeye Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] (E)-3-(3-bromophenyl)prop-2-enoate CAS Name: (E)-3-(3-bromophenyl)-2-propenoic acid [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] (E)-3-(3-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromophenyl)acrylic acid [2-keto-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester Formula: C21H22BrNO3 MolecularWeight: 416.30828

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)COC(=O)C=CC2=CC(=CC=C2)Br

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC(=O)COC(=O)/C=C/C2=CC(=CC=C2)Br

InChI

InChI=1S/C21H22BrNO3/c1-2-7-19(17-9-4-3-5-10-17)23-20(24)15-26-21(25)13-12-16-8-6-11-18(22)14-16/h3-6,8-14,19H,2,7,15H2,1H3,(H,23,24)/b13-12+/t19-/m1/s1