5-phenylpentyl 2-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1,2-diazinane-3-carboxylate

Systemtic Name: 5-phenylpentyl 2-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1,2-diazinane-3-carboxylate Openeye Name: 5-phenylpentyl 2-(3,3-dimethyl-2-oxo-pentanoyl)hexahydropyridazine-3-carboxylate CAS Name: 2-(3,3-dimethyl-1,2-dioxopentyl)-3-diazinanecarboxylic acid 5-phenylpentyl ester IUPAC Name: 5-phenylpentyl 2-(3,3-dimethyl-2-oxopentanoyl)diazinane-3-carboxylate Traditional Name: 2-(2-keto-3,3-dimethyl-pentanoyl)hexahydropyridazine-3-carboxylic acid 5-phenylpentyl ester Formula: C23H34N2O4 MolecularWeight: 402.52706

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1C(CCCN1)C(=O)OCCCCCC2=CC=CC=C2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1C(CCCN1)C(=O)OCCCCCC2=CC=CC=C2

InChI

InChI=1S/C23H34N2O4/c1-4-23(2,3)20(26)21(27)25-19(15-11-16-24-25)22(28)29-17-10-6-9-14-18-12-7-5-8-13-18/h5,7-8,12-13,19,24H,4,6,9-11,14-17H2,1-3H3