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

Systemtic Name: propan-2-yl 4-(4-bromanyl-2,5-dimethoxy-phenyl)-2-methylidene-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: isopropyl 4-(4-bromo-2,5-dimethoxy-phenyl)-2-methylene-6-oxo-piperidine-3-carboxylate CAS Name: 4-(4-bromo-2,5-dimethoxyphenyl)-2-methylene-6-oxo-3-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(4-bromo-2,5-dimethoxyphenyl)-2-methylidene-6-oxopiperidine-3-carboxylate Traditional Name: 4-(4-bromo-2,5-dimethoxy-phenyl)-6-keto-2-methylene-nipecotic acid isopropyl ester Formula: C18H22BrNO5 MolecularWeight: 412.27498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1C(CC(=O)NC1=C)C2=CC(=C(C=C2OC)Br)OC

Isomeric SMILES

CC(C)OC(=O)C1C(CC(=O)NC1=C)C2=CC(=C(C=C2OC)Br)OC

InChI

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