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

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: [2-(isopentylamino)-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-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-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-(isoamylamino)-2-keto-ethyl] ester Formula: C17H22BrNO5 MolecularWeight: 400.26428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22BrNO5/c1-11(2)6-7-19-15(20)10-24-16(21)5-4-12-8-13(18)17(22)14(9-12)23-3/h4-5,8-9,11,22H,6-7,10H2,1-3H3,(H,19,20)/b5-4+