(2-oxidanylidene-2-piperidin-1-yl-ethyl) (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: [2-oxo-2-(1-piperidyl)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-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) (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-piperidino-ethyl) ester Formula: C17H20BrNO5 MolecularWeight: 398.2484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)OCC(=O)N2CCCCC2)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)OCC(=O)N2CCCCC2)Br)O

InChI

InChI=1S/C17H20BrNO5/c1-23-14-10-12(9-13(18)17(14)22)5-6-16(21)24-11-15(20)19-7-3-2-4-8-19/h5-6,9-10,22H,2-4,7-8,11H2,1H3/b6-5+