[2-[(3R)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] (E)-3-(3-bromophenyl)prop-2-enoate

Systemtic Name: [2-[(3R)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] (E)-3-(3-bromophenyl)prop-2-enoate Openeye Name: [2-[(3R)-3-carbamoyl-1-piperidyl]-2-oxo-ethyl] (E)-3-(3-bromophenyl)prop-2-enoate CAS Name: (E)-3-(3-bromophenyl)-2-propenoic acid [2-[(3R)-3-carbamoyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] (E)-3-(3-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromophenyl)acrylic acid [2-[(3R)-3-carbamoylpiperidino]-2-keto-ethyl] ester Formula: C17H19BrN2O4 MolecularWeight: 395.24776

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC(=O)C=CC2=CC(=CC=C2)Br)C(=O)N

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)COC(=O)/C=C/C2=CC(=CC=C2)Br)C(=O)N

InChI

InChI=1S/C17H19BrN2O4/c18-14-5-1-3-12(9-14)6-7-16(22)24-11-15(21)20-8-2-4-13(10-20)17(19)23/h1,3,5-7,9,13H,2,4,8,10-11H2,(H2,19,23)/b7-6+/t13-/m1/s1