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

Systemtic Name: phenethyl 4-methylidene-2-oxidanylidene-6-(3-phenylmethoxyphenyl)-1,3-diazinane-5-carboxylate Openeye Name: phenethyl 4-(3-benzyloxyphenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-methylene-2-oxo-6-(3-phenylmethoxyphenyl)-1,3-diazinane-5-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-methylidene-2-oxo-6-(3-phenylmethoxyphenyl)-1,3-diazinane-5-carboxylate Traditional Name: 4-(3-benzoxyphenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid phenethyl ester Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=O)N1)C2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

C=C1C(C(NC(=O)N1)C2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O4/c1-19-24(26(30)32-16-15-20-9-4-2-5-10-20)25(29-27(31)28-19)22-13-8-14-23(17-22)33-18-21-11-6-3-7-12-21/h2-14,17,24-25H,1,15-16,18H2,(H2,28,29,31)