(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-butyl-2-(2-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 1-butyl-2-(2-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-butyl-2-(2-methoxyphenyl)-6-oxo-piperidine-3-carboxylate CAS Name: 1-butyl-2-(2-methoxyphenyl)-6-oxo-3-piperidinecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate Traditional Name: 1-butyl-6-keto-2-(2-methoxyphenyl)nipecotic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C25H28N4O5 MolecularWeight: 464.51362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)C4=CC=CC=C4OC

Isomeric SMILES

CCCCN1C(C(CCC1=O)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)C4=CC=CC=C4OC

InChI

InChI=1S/C25H28N4O5/c1-3-4-15-28-22(30)14-13-19(23(28)18-10-6-8-12-21(18)33-2)25(32)34-16-29-24(31)17-9-5-7-11-20(17)26-27-29/h5-12,19,23H,3-4,13-16H2,1-2H3