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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate Openeye Name: [2-(butylamino)-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-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)acrylic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C16H20BrNO4 MolecularWeight: 370.2383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C=CC1=C(C=CC(=C1)Br)OC

Isomeric SMILES

CCCCNC(=O)COC(=O)/C=C/C1=C(C=CC(=C1)Br)OC

InChI

InChI=1S/C16H20BrNO4/c1-3-4-9-18-15(19)11-22-16(20)8-5-12-10-13(17)6-7-14(12)21-2/h5-8,10H,3-4,9,11H2,1-2H3,(H,18,19)/b8-5+