[2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate

Systemtic Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate Openeye Name: [2-[2-(4-methoxyphenyl)ethylamino]-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-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)acrylic acid [2-keto-2-[2-(4-methoxyphenyl)ethylamino]ethyl] ester Formula: C21H22BrNO5 MolecularWeight: 448.30708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)COC(=O)C=CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)COC(=O)/C=C/C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C21H22BrNO5/c1-26-18-7-3-15(4-8-18)11-12-23-20(24)14-28-21(25)10-5-16-13-17(22)6-9-19(16)27-2/h3-10,13H,11-12,14H2,1-2H3,(H,23,24)/b10-5+