4-[(2-methoxy-4-oxidanylidene-1H-quinazolin-6-yl)methyl]benzoic acid; prop-2-yn-1-amine

Systemtic Name: 4-[(2-methoxy-4-oxidanylidene-1H-quinazolin-6-yl)methyl]benzoic acid; prop-2-yn-1-amine Openeye Name: 4-[(2-methoxy-4-oxo-1H-quinazolin-6-yl)methyl]benzoic acid; prop-2-yn-1-amine CAS Name: 4-[(2-methoxy-4-oxo-1H-quinazolin-6-yl)methyl]benzoic acid; 2-propyn-1-amine IUPAC Name: 4-[(2-methoxy-4-oxo-1H-quinazolin-6-yl)methyl]benzoic acid; prop-2-yn-1-amine Traditional Name: 4-[(4-keto-2-methoxy-1H-quinazolin-6-yl)methyl]benzoic acid; propargylamine Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=O)C2=C(N1)C=CC(=C2)CC3=CC=C(C=C3)C(=O)O.C#CCN

Isomeric SMILES

COC1=NC(=O)C2=C(N1)C=CC(=C2)CC3=CC=C(C=C3)C(=O)O.C#CCN

InChI

InChI=1S/C17H14N2O4.C3H5N/c1-23-17-18-14-7-4-11(9-13(14)15(20)19-17)8-10-2-5-12(6-3-10)16(21)22;1-2-3-4/h2-7,9H,8H2,1H3,(H,21,22)(H,18,19,20);1H,3-4H2