6-[2-(3-methoxyphenyl)ethyl]-2-oxidanylidene-4-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 6-[2-(3-methoxyphenyl)ethyl]-2-oxidanylidene-4-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Openeye Name: 6-[2-(3-methoxyphenyl)ethyl]-2-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid CAS Name: 6-[2-(3-methoxyphenyl)ethyl]-2-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid IUPAC Name: 6-[2-(3-methoxyphenyl)ethyl]-2-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-keto-4-(3-keto-4H-1,4-benzoxazin-6-yl)-6-[2-(3-methoxyphenyl)ethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCC2=C(C(NC(=O)N2)C3=CC4=C(C=C3)OCC(=O)N4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)CCC2=C(C(NC(=O)N2)C3=CC4=C(C=C3)OCC(=O)N4)C(=O)O

InChI

InChI=1S/C22H21N3O6/c1-30-14-4-2-3-12(9-14)5-7-15-19(21(27)28)20(25-22(29)24-15)13-6-8-17-16(10-13)23-18(26)11-31-17/h2-4,6,8-10,20H,5,7,11H2,1H3,(H,23,26)(H,27,28)(H2,24,25,29)