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

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] (E)-3-(4-bromophenyl)prop-2-enoate Openeye Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] (E)-3-(4-bromophenyl)prop-2-enoate CAS Name: (E)-3-(4-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-(4-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(4-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=C(C=C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrNO3/c1-2-6-19(17-7-4-3-5-8-17)23-20(24)15-26-21(25)14-11-16-9-12-18(22)13-10-16/h3-5,7-14,19H,2,6,15H2,1H3,(H,23,24)/b14-11+/t19-/m1/s1