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

Systemtic Name: 3-phenylpropyl 2-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-1,2-diazinane-3-carboxylate Openeye Name: 3-phenylpropyl 2-(3,3-dimethyl-2-oxo-pentanoyl)hexahydropyridazine-3-carboxylate CAS Name: 2-(3,3-dimethyl-1,2-dioxopentyl)-3-diazinanecarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-(3,3-dimethyl-2-oxopentanoyl)diazinane-3-carboxylate Traditional Name: 2-(2-keto-3,3-dimethyl-pentanoyl)hexahydropyridazine-3-carboxylic acid 3-phenylpropyl ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1C(CCCN1)C(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1C(CCCN1)C(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C21H30N2O4/c1-4-21(2,3)18(24)19(25)23-17(13-8-14-22-23)20(26)27-15-9-12-16-10-6-5-7-11-16/h5-7,10-11,17,22H,4,8-9,12-15H2,1-3H3