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

Systemtic Name: [(1S,3R)-3-methylcyclohexyl] (5R,6R)-4-methylidene-2-oxidanylidene-6-(2-propoxyphenyl)-1,3-diazinane-5-carboxylate Openeye Name: [(1S,3R)-3-methylcyclohexyl] (5R,6R)-4-methylene-2-oxo-6-(2-propoxyphenyl)hexahydropyrimidine-5-carboxylate CAS Name: (5R,6R)-4-methylene-2-oxo-6-(2-propoxyphenyl)-1,3-diazinane-5-carboxylic acid [(1S,3R)-3-methylcyclohexyl] ester IUPAC Name: [(1S,3R)-3-methylcyclohexyl] (5R,6R)-4-methylidene-2-oxo-6-(2-propoxyphenyl)-1,3-diazinane-5-carboxylate Traditional Name: (5R,6R)-2-keto-4-methylene-6-(2-propoxyphenyl)hexahydropyrimidine-5-carboxylic acid [(1S,3R)-3-methylcyclohexyl] ester Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2C(C(=C)NC(=O)N2)C(=O)OC3CCCC(C3)C

Isomeric SMILES

CCCOC1=CC=CC=C1[C@H]2[C@H](C(=C)NC(=O)N2)C(=O)O[C@H]3CCC[C@H](C3)C

InChI

InChI=1S/C22H30N2O4/c1-4-12-27-18-11-6-5-10-17(18)20-19(15(3)23-22(26)24-20)21(25)28-16-9-7-8-14(2)13-16/h5-6,10-11,14,16,19-20H,3-4,7-9,12-13H2,1-2H3,(H2,23,24,26)/t14-,16+,19+,20+/m1/s1