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

Systemtic Name: 2-methylpropyl (4S,5R)-4-(2-butoxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: isobutyl (4S,5R)-4-(2-butoxyphenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(2-butoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (4S,5R)-4-(2-butoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(2-butoxyphenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid isobutyl ester Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2C(C(=C)NC(=O)N2)C(=O)OCC(C)C

Isomeric SMILES

CCCCOC1=CC=CC=C1[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)OCC(C)C

InChI

InChI=1S/C20H28N2O4/c1-5-6-11-25-16-10-8-7-9-15(16)18-17(14(4)21-20(24)22-18)19(23)26-12-13(2)3/h7-10,13,17-18H,4-6,11-12H2,1-3H3,(H2,21,22,24)/t17-,18+/m0/s1