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

Systemtic Name: [2-[(3R)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] (E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoate Openeye Name: [2-[(3R)-3-carbamoyl-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-carbamoyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-carbamoylpiperidin-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-[(3R)-3-carbamoylpiperidino]-2-keto-ethyl] ester Formula: C18H21BrN2O4 MolecularWeight: 409.27434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)OCC(=O)N2CCCC(C2)C(=O)N)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)OCC(=O)N2CCC[C@H](C2)C(=O)N)Br

InChI

InChI=1S/C18H21BrN2O4/c1-12-4-5-13(15(19)9-12)6-7-17(23)25-11-16(22)21-8-2-3-14(10-21)18(20)24/h4-7,9,14H,2-3,8,10-11H2,1H3,(H2,20,24)/b7-6+/t14-/m1/s1