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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-propenoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)acrylic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C16H20BrNO5 MolecularWeight: 386.2377

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrNO5/c1-3-4-7-18-14(19)10-23-15(20)6-5-11-8-12(17)16(21)13(9-11)22-2/h5-6,8-9,21H,3-4,7,10H2,1-2H3,(H,18,19)/b6-5+