4-azanylbutanoic acid; 3-(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)-2-phenyl-propanoic acid; methanal; methanoic acid

Systemtic Name: 4-azanylbutanoic acid; 3-(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)-2-phenyl-propanoic acid; methanal; methanoic acid Openeye Name: 4-aminobutanoic acid; 3-(2-amino-4-oxo-1H-quinazolin-6-yl)-2-phenyl-propanoic acid; formaldehyde; formic acid CAS Name: 4-aminobutanoic acid; 3-(2-amino-4-oxo-1H-quinazolin-6-yl)-2-phenylpropanoic acid; formaldehyde; formic acid IUPAC Name: 4-aminobutanoic acid; 3-(2-amino-4-oxo-1H-quinazolin-6-yl)-2-phenylpropanoic acid; formaldehyde; formic acid Traditional Name: 4-aminobutyric acid; 3-(2-amino-4-keto-1H-quinazolin-6-yl)-2-phenyl-propionic acid; formaldehyde; formic acid Formula: C23H28N4O8 MolecularWeight: 488.49042

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Descriptors Computed from Structure

Canonical SMILES:

C=O.C1=CC=C(C=C1)C(CC2=CC3=C(C=C2)NC(=NC3=O)N)C(=O)O.C(CC(=O)O)CN.C(=O)O

Isomeric SMILES

C=O.C1=CC=C(C=C1)C(CC2=CC3=C(C=C2)NC(=NC3=O)N)C(=O)O.C(CC(=O)O)CN.C(=O)O

InChI

InChI=1S/C17H15N3O3.C4H9NO2.CH2O2.CH2O/c18-17-19-14-7-6-10(9-13(14)15(21)20-17)8-12(16(22)23)11-4-2-1-3-5-11;5-3-1-2-4(6)7;2-1-3;1-2/h1-7,9,12H,8H2,(H,22,23)(H3,18,19,20,21);1-3,5H2,(H,6,7);1H,(H,2,3);1H2