[2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate

Systemtic Name: [2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate Openeye Name: [2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl] (E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoate CAS Name: (E)-3-(2-bromo-4-methylphenyl)-2-propenoic acid [2-[(3R)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] (E)-3-(2-bromo-4-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(2-bromo-4-methyl-phenyl)acrylic acid [2-keto-2-[(3R)-3-methylpiperidino]ethyl] ester Formula: C18H22BrNO3 MolecularWeight: 380.27618

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C=CC2=C(C=C(C=C2)C)Br

Isomeric SMILES

C[C@@H]1CCCN(C1)C(=O)COC(=O)/C=C/C2=C(C=C(C=C2)C)Br

InChI

InChI=1S/C18H22BrNO3/c1-13-5-6-15(16(19)10-13)7-8-18(22)23-12-17(21)20-9-3-4-14(2)11-20/h5-8,10,14H,3-4,9,11-12H2,1-2H3/b8-7+/t14-/m1/s1