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

Systemtic Name: cycloheptyl 4-methylidene-2-oxidanylidene-6-(3-phenylmethoxyphenyl)-1,3-diazinane-5-carboxylate Openeye Name: cycloheptyl 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 cycloheptyl ester IUPAC Name: cycloheptyl 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 cycloheptyl ester Formula: C26H30N2O4 MolecularWeight: 434.5274

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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)OC4CCCCCC4

Isomeric SMILES

C=C1C(C(NC(=O)N1)C2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)OC4CCCCCC4

InChI

InChI=1S/C26H30N2O4/c1-18-23(25(29)32-21-13-7-2-3-8-14-21)24(28-26(30)27-18)20-12-9-15-22(16-20)31-17-19-10-5-4-6-11-19/h4-6,9-12,15-16,21,23-24H,1-3,7-8,13-14,17H2,(H2,27,28,30)