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

Systemtic Name: phenethyl (5R,6S)-4-methylidene-2-oxidanylidene-6-(2-propoxyphenyl)-1,3-diazinane-5-carboxylate Openeye Name: phenethyl (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 phenethyl ester IUPAC Name: phenethyl (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 phenethyl ester Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2C(C(=C)NC(=O)N2)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CCCOC1=CC=CC=C1[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O4/c1-3-14-28-19-12-8-7-11-18(19)21-20(16(2)24-23(27)25-21)22(26)29-15-13-17-9-5-4-6-10-17/h4-12,20-21H,2-3,13-15H2,1H3,(H2,24,25,27)/t20-,21+/m0/s1