ethyl (4S,5R)-4-(3-ethoxy-4-phenylmethoxy-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (4S,5R)-4-(3-ethoxy-4-phenylmethoxy-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4S,5R)-4-(4-benzyloxy-3-ethoxy-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(3-ethoxy-4-phenylmethoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5R)-4-(3-ethoxy-4-phenylmethoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(4-benzoxy-3-ethoxy-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(C(=C)NC(=O)N2)C(=O)OCC)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)OCC)OCC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O5/c1-4-28-19-13-17(11-12-18(19)30-14-16-9-7-6-8-10-16)21-20(22(26)29-5-2)15(3)24-23(27)25-21/h6-13,20-21H,3-5,14H2,1-2H3,(H2,24,25,27)/t20-,21+/m0/s1