[(2S)-3,3-dimethylbutan-2-yl] (5R,6S)-4-methylidene-2-oxidanylidene-6-(2-propoxyphenyl)-1,3-diazinane-5-carboxylate

Systemtic Name: [(2S)-3,3-dimethylbutan-2-yl] (5R,6S)-4-methylidene-2-oxidanylidene-6-(2-propoxyphenyl)-1,3-diazinane-5-carboxylate Openeye Name: [(1S)-1,2,2-trimethylpropyl] (5R,6S)-4-methylene-2-oxo-6-(2-propoxyphenyl)hexahydropyrimidine-5-carboxylate CAS Name: (5R,6S)-4-methylene-2-oxo-6-(2-propoxyphenyl)-1,3-diazinane-5-carboxylic acid [(2S)-3,3-dimethylbutan-2-yl] ester IUPAC Name: [(2S)-3,3-dimethylbutan-2-yl] (5R,6S)-4-methylidene-2-oxo-6-(2-propoxyphenyl)-1,3-diazinane-5-carboxylate Traditional Name: (5R,6S)-2-keto-4-methylene-6-(2-propoxyphenyl)hexahydropyrimidine-5-carboxylic acid [(1S)-1,2,2-trimethylpropyl] ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2C(C(=C)NC(=O)N2)C(=O)OC(C)C(C)(C)C

Isomeric SMILES

CCCOC1=CC=CC=C1[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)O[C@@H](C)C(C)(C)C

InChI

InChI=1S/C21H30N2O4/c1-7-12-26-16-11-9-8-10-15(16)18-17(13(2)22-20(25)23-18)19(24)27-14(3)21(4,5)6/h8-11,14,17-18H,2,7,12H2,1,3-6H3,(H2,22,23,25)/t14-,17-,18+/m0/s1