[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] (E)-3-(3-bromophenyl)prop-2-enoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] (E)-3-(3-bromophenyl)prop-2-enoate Openeye Name: [(1R)-1-(benzylcarbamoyl)propyl] (E)-3-(3-bromophenyl)prop-2-enoate CAS Name: (E)-3-(3-bromophenyl)-2-propenoic acid [(2R)-1-oxo-1-[(phenylmethyl)amino]butan-2-yl] ester IUPAC Name: [(2R)-1-(benzylamino)-1-oxobutan-2-yl] (E)-3-(3-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromophenyl)acrylic acid [(1R)-1-(benzylcarbamoyl)propyl] ester Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)OC(=O)C=CC2=CC(=CC=C2)Br

Isomeric SMILES

CC[C@H](C(=O)NCC1=CC=CC=C1)OC(=O)/C=C/C2=CC(=CC=C2)Br

InChI

InChI=1S/C20H20BrNO3/c1-2-18(20(24)22-14-16-7-4-3-5-8-16)25-19(23)12-11-15-9-6-10-17(21)13-15/h3-13,18H,2,14H2,1H3,(H,22,24)/b12-11+/t18-/m1/s1