hexyl (4S,5R)-4-(4-dimethylaminophenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: hexyl (4S,5R)-4-(4-dimethylaminophenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: hexyl (4S,5R)-4-(4-dimethylaminophenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(4-dimethylaminophenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid hexyl ester IUPAC Name: hexyl (4S,5R)-4-(4-dimethylaminophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(4-dimethylaminophenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid hexyl ester Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1C(NC(=O)NC1=C)C2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCCCCCOC(=O)[C@@H]1[C@H](NC(=O)NC1=C)C2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C20H29N3O3/c1-5-6-7-8-13-26-19(24)17-14(2)21-20(25)22-18(17)15-9-11-16(12-10-15)23(3)4/h9-12,17-18H,2,5-8,13H2,1,3-4H3,(H2,21,22,25)/t17-,18+/m0/s1