(7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 1-butyl-2-(2-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: (7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 1-butyl-2-(2-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: (7-chloro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 1-butyl-2-(2-methoxyphenyl)-6-oxo-piperidine-3-carboxylate CAS Name: 1-butyl-2-(2-methoxyphenyl)-6-oxo-3-piperidinecarboxylic acid (7-chloro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate Traditional Name: 1-butyl-6-keto-2-(2-methoxyphenyl)nipecotic acid (7-chloro-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C26H28ClN3O5 MolecularWeight: 497.97062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Cl)C4=CC=CC=C4OC

Isomeric SMILES

CCCCN1C(C(CCC1=O)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Cl)C4=CC=CC=C4OC

InChI

InChI=1S/C26H28ClN3O5/c1-3-4-13-29-23(31)12-10-20(25(29)19-7-5-6-8-21(19)34-2)26(33)35-16-18-14-24(32)30-15-17(27)9-11-22(30)28-18/h5-9,11,14-15,20,25H,3-4,10,12-13,16H2,1-2H3