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

Systemtic Name: [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxidanylidene-ethyl] (E)-3-phenylprop-2-enoate Openeye Name: [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxo-ethyl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-keto-ethyl] ester Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrNO3/c1-2-18(16-9-11-17(21)12-10-16)22-19(23)14-25-20(24)13-8-15-6-4-3-5-7-15/h3-13,18H,2,14H2,1H3,(H,22,23)/b13-8+/t18-/m1/s1