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

Systemtic Name: 5-phenylpentyl 2-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1,2-diazinane-1-carboxylate Openeye Name: 5-phenylpentyl 2-(3,3-dimethyl-2-oxo-pentanoyl)hexahydropyridazine-1-carboxylate CAS Name: 2-(3,3-dimethyl-1,2-dioxopentyl)-1-diazinanecarboxylic acid 5-phenylpentyl ester IUPAC Name: 5-phenylpentyl 2-(3,3-dimethyl-2-oxopentanoyl)diazinane-1-carboxylate Traditional Name: 2-(2-keto-3,3-dimethyl-pentanoyl)hexahydropyridazine-1-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)N1CCCCN1C(=O)OCCCCCC2=CC=CC=C2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCCN1C(=O)OCCCCCC2=CC=CC=C2

InChI

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