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

Systemtic Name: cyclopentyl 4-(2-bromanyl-4,5-dimethoxy-phenyl)-2-methylidene-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: cyclopentyl 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 cyclopentyl ester IUPAC Name: cyclopentyl 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 cyclopentyl ester Formula: C20H24BrNO5 MolecularWeight: 438.31226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C2CC(=O)NC(=C)C2C(=O)OC3CCCC3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C2CC(=O)NC(=C)C2C(=O)OC3CCCC3)Br)OC

InChI

InChI=1S/C20H24BrNO5/c1-11-19(20(24)27-12-6-4-5-7-12)14(9-18(23)22-11)13-8-16(25-2)17(26-3)10-15(13)21/h8,10,12,14,19H,1,4-7,9H2,2-3H3,(H,22,23)