[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: [2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: [2-[(2S)-2-methyl-1-piperidyl]-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-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-methylpiperidin-1-yl]-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-keto-2-[(2S)-2-methylpiperidino]ethyl] ester Formula: C18H22BrNO5 MolecularWeight: 412.27498

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)COC(=O)C=CC2=CC(=C(C(=C2)Br)O)OC

Isomeric SMILES

C[C@H]1CCCCN1C(=O)COC(=O)/C=C/C2=CC(=C(C(=C2)Br)O)OC

InChI

InChI=1S/C18H22BrNO5/c1-12-5-3-4-8-20(12)16(21)11-25-17(22)7-6-13-9-14(19)18(23)15(10-13)24-2/h6-7,9-10,12,23H,3-5,8,11H2,1-2H3/b7-6+/t12-/m0/s1