[2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate

Systemtic Name: [2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate Openeye Name: [2-[benzyl(ethyl)amino]-2-oxo-ethyl] (E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-2-propenoic acid [2-[ethyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(ethyl)amino]-2-oxoethyl] (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)acrylic acid [2-[benzyl(ethyl)amino]-2-keto-ethyl] ester Formula: C21H22BrNO4 MolecularWeight: 432.30768

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)COC(=O)C=CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)COC(=O)/C=C/C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C21H22BrNO4/c1-3-23(14-16-7-5-4-6-8-16)20(24)15-27-21(25)12-9-17-13-18(22)10-11-19(17)26-2/h4-13H,3,14-15H2,1-2H3/b12-9+