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

Systemtic Name: ethyl (E)-3-[(4-bromophenyl)amino]-2-cyano-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate Openeye Name: ethyl (E)-3-(4-bromoanilino)-2-cyano-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate CAS Name: (E)-3-(4-bromoanilino)-2-cyano-3-[[(1R)-1-phenylethyl]amino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(4-bromoanilino)-2-cyano-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate Traditional Name: (E)-3-(4-bromoanilino)-2-cyano-3-[[(1R)-1-phenylethyl]amino]acrylic acid ethyl ester Formula: C20H20BrN3O2 MolecularWeight: 414.2957

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NC1=CC=C(C=C1)Br)NC(C)C2=CC=CC=C2)C#N

Isomeric SMILES

CCOC(=O)/C(=C(/NC1=CC=C(C=C1)Br)\N[C@H](C)C2=CC=CC=C2)/C#N

InChI

InChI=1S/C20H20BrN3O2/c1-3-26-20(25)18(13-22)19(24-17-11-9-16(21)10-12-17)23-14(2)15-7-5-4-6-8-15/h4-12,14,23-24H,3H2,1-2H3/b19-18+/t14-/m1/s1