phenethyl 4-(2-bromanyl-4,5-dimethoxy-phenyl)-2-methylidene-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: phenethyl 4-(2-bromanyl-4,5-dimethoxy-phenyl)-2-methylidene-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: phenethyl 4-(2-bromo-4,5-dimethoxy-phenyl)-2-methylene-6-oxo-piperidine-3-carboxylate CAS Name: 4-(2-bromo-4,5-dimethoxyphenyl)-2-methylene-6-oxo-3-piperidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(2-bromo-4,5-dimethoxyphenyl)-2-methylidene-6-oxopiperidine-3-carboxylate Traditional Name: 4-(2-bromo-4,5-dimethoxy-phenyl)-6-keto-2-methylene-nipecotic acid phenethyl ester Formula: C23H24BrNO5 MolecularWeight: 474.34436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C2CC(=O)NC(=C)C2C(=O)OCCC3=CC=CC=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C2CC(=O)NC(=C)C2C(=O)OCCC3=CC=CC=C3)Br)OC

InChI

InChI=1S/C23H24BrNO5/c1-14-22(23(27)30-10-9-15-7-5-4-6-8-15)17(12-21(26)25-14)16-11-19(28-2)20(29-3)13-18(16)24/h4-8,11,13,17,22H,1,9-10,12H2,2-3H3,(H,25,26)