[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] (E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] (E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-2-propenoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)acrylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C19H24BrNO4 MolecularWeight: 410.30216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C=CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)/C=C/C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C19H24BrNO4/c1-14(19(23)21-11-5-3-4-6-12-21)25-18(22)10-7-15-13-16(20)8-9-17(15)24-2/h7-10,13-14H,3-6,11-12H2,1-2H3/b10-7+