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

Systemtic Name: [(1S,3R)-3-methylcyclohexyl] (5R,6S)-4-methylidene-2-oxidanylidene-6-(4-propoxyphenyl)-1,3-diazinane-5-carboxylate Openeye Name: [(1S,3R)-3-methylcyclohexyl] (5R,6S)-4-methylene-2-oxo-6-(4-propoxyphenyl)hexahydropyrimidine-5-carboxylate CAS Name: (5R,6S)-4-methylene-2-oxo-6-(4-propoxyphenyl)-1,3-diazinane-5-carboxylic acid [(1S,3R)-3-methylcyclohexyl] ester IUPAC Name: [(1S,3R)-3-methylcyclohexyl] (5R,6S)-4-methylidene-2-oxo-6-(4-propoxyphenyl)-1,3-diazinane-5-carboxylate Traditional Name: (5R,6S)-2-keto-4-methylene-6-(4-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=C(C=C1)C2C(C(=C)NC(=O)N2)C(=O)OC3CCCC(C3)C

Isomeric SMILES

CCCOC1=CC=C(C=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/c1-4-12-27-17-10-8-16(9-11-17)20-19(15(3)23-22(26)24-20)21(25)28-18-7-5-6-14(2)13-18/h8-11,14,18-20H,3-7,12-13H2,1-2H3,(H2,23,24,26)/t14-,18+,19+,20-/m1/s1