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

Systemtic Name: cyclohexyl (5R,6S)-4-methylidene-2-oxidanylidene-6-(4-propoxyphenyl)-1,3-diazinane-5-carboxylate Openeye Name: cyclohexyl (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 cyclohexyl ester IUPAC Name: cyclohexyl (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 cyclohexyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2C(C(=C)NC(=O)N2)C(=O)OC3CCCCC3

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)OC3CCCCC3

InChI

InChI=1S/C21H28N2O4/c1-3-13-26-16-11-9-15(10-12-16)19-18(14(2)22-21(25)23-19)20(24)27-17-7-5-4-6-8-17/h9-12,17-19H,2-8,13H2,1H3,(H2,22,23,25)/t18-,19+/m0/s1