2-ethoxyethyl (5S,6S)-4-methylidene-2-oxidanylidene-6-(4-phenylmethoxyphenyl)-1,3-diazinane-5-carboxylate

Systemtic Name: 2-ethoxyethyl (5S,6S)-4-methylidene-2-oxidanylidene-6-(4-phenylmethoxyphenyl)-1,3-diazinane-5-carboxylate Openeye Name: 2-ethoxyethyl (4S,5S)-4-(4-benzyloxyphenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (5S,6S)-4-methylene-2-oxo-6-(4-phenylmethoxyphenyl)-1,3-diazinane-5-carboxylic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl (5S,6S)-4-methylidene-2-oxo-6-(4-phenylmethoxyphenyl)-1,3-diazinane-5-carboxylate Traditional Name: (4S,5S)-4-(4-benzoxyphenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid 2-ethoxyethyl ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)C1C(NC(=O)NC1=C)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCOCCOC(=O)[C@H]1[C@H](NC(=O)NC1=C)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O5/c1-3-28-13-14-29-22(26)20-16(2)24-23(27)25-21(20)18-9-11-19(12-10-18)30-15-17-7-5-4-6-8-17/h4-12,20-21H,2-3,13-15H2,1H3,(H2,24,25,27)/t20-,21-/m1/s1