2-methoxyethyl (4R,5S)-4-[3-(4-chloranylphenoxy)phenyl]-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: 2-methoxyethyl (4R,5S)-4-[3-(4-chloranylphenoxy)phenyl]-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-methoxyethyl (4R,5S)-4-[3-(4-chlorophenoxy)phenyl]-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-[3-(4-chlorophenoxy)phenyl]-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4R,5S)-4-[3-(4-chlorophenoxy)phenyl]-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-[3-(4-chlorophenoxy)phenyl]-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C1C(NC(=O)NC1=C)C2=CC(=CC=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

COCCOC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=CC(=CC=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2O5/c1-13-18(20(25)28-11-10-27-2)19(24-21(26)23-13)14-4-3-5-17(12-14)29-16-8-6-15(22)7-9-16/h3-9,12,18-19H,1,10-11H2,2H3,(H2,23,24,26)/t18-,19+/m1/s1