ethyl 4-[[4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoyl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoyl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoyl]amino]piperidine-1-carboxylate CAS Name: 4-[[4-(5-bromo-2-methoxyphenyl)-1,4-dioxobutyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(5-bromo-2-methoxyphenyl)-4-oxobutanoyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-(5-bromo-2-methoxy-phenyl)-4-keto-butanoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C19H25BrN2O5 MolecularWeight: 441.3162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCC(=O)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCC(=O)C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C19H25BrN2O5/c1-3-27-19(25)22-10-8-14(9-11-22)21-18(24)7-5-16(23)15-12-13(20)4-6-17(15)26-2/h4,6,12,14H,3,5,7-11H2,1-2H3,(H,21,24)