ethanedioic acid; methyl 2-[(cyclohexylmethylamino)methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: ethanedioic acid; methyl 2-[(cyclohexylmethylamino)methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(cyclohexylmethylamino)methyl]-4-oxo-1H-quinazoline-7-carboxylate; oxalic acid CAS Name: 2-[(cyclohexylmethylamino)methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester; oxalic acid IUPAC Name: methyl 2-[(cyclohexylmethylamino)methyl]-4-oxo-1H-quinazoline-7-carboxylate; oxalic acid Traditional Name: 2-[(cyclohexylmethylamino)methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester; oxalic acid Formula: C20H25N3O7 MolecularWeight: 419.4284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CNCC3CCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CNCC3CCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23N3O3.C2H2O4/c1-24-18(23)13-7-8-14-15(9-13)20-16(21-17(14)22)11-19-10-12-5-3-2-4-6-12;3-1(4)2(5)6/h7-9,12,19H,2-6,10-11H2,1H3,(H,20,21,22);(H,3,4)(H,5,6)