4-phenylbutyl 2-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1,2-diazinane-3-carboxylate

Systemtic Name: 4-phenylbutyl 2-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1,2-diazinane-3-carboxylate Openeye Name: 4-phenylbutyl 2-(3,3-dimethyl-2-oxo-pentanoyl)hexahydropyridazine-3-carboxylate CAS Name: 2-(3,3-dimethyl-1,2-dioxopentyl)-3-diazinanecarboxylic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl 2-(3,3-dimethyl-2-oxopentanoyl)diazinane-3-carboxylate Traditional Name: 2-(2-keto-3,3-dimethyl-pentanoyl)hexahydropyridazine-3-carboxylic acid 4-phenylbutyl ester Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1C(CCCN1)C(=O)OCCCCC2=CC=CC=C2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1C(CCCN1)C(=O)OCCCCC2=CC=CC=C2

InChI

InChI=1S/C22H32N2O4/c1-4-22(2,3)19(25)20(26)24-18(14-10-15-23-24)21(27)28-16-9-8-13-17-11-6-5-7-12-17/h5-7,11-12,18,23H,4,8-10,13-16H2,1-3H3