[2-oxidanylidene-2-(pentylamino)ethyl] (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(pentylamino)ethyl] (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate Openeye Name: [2-oxo-2-(pentylamino)ethyl] (E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoate CAS Name: (E)-3-(2-bromo-4-methylphenyl)-2-propenoic acid [2-oxo-2-(pentylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentylamino)ethyl] (E)-3-(2-bromo-4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(2-bromo-4-methyl-phenyl)acrylic acid [2-(amylamino)-2-keto-ethyl] ester Formula: C17H22BrNO3 MolecularWeight: 368.26548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)COC(=O)C=CC1=C(C=C(C=C1)C)Br

Isomeric SMILES

CCCCCNC(=O)COC(=O)/C=C/C1=C(C=C(C=C1)C)Br

InChI

InChI=1S/C17H22BrNO3/c1-3-4-5-10-19-16(20)12-22-17(21)9-8-14-7-6-13(2)11-15(14)18/h6-9,11H,3-5,10,12H2,1-2H3,(H,19,20)/b9-8+