[1-(1,4-dihydroquinazolin-6-yl)-2-(2,2-dimethylpropanoyloxy)ethyl] benzoate; prop-2-yn-1-amine

Systemtic Name: [1-(1,4-dihydroquinazolin-6-yl)-2-(2,2-dimethylpropanoyloxy)ethyl] benzoate; prop-2-yn-1-amine Openeye Name: [1-(1,4-dihydroquinazolin-6-yl)-2-(2,2-dimethylpropanoyloxy)ethyl] benzoate; prop-2-yn-1-amine CAS Name: benzoic acid [1-(1,4-dihydroquinazolin-6-yl)-2-(2,2-dimethyl-1-oxopropoxy)ethyl] ester; 2-propyn-1-amine IUPAC Name: [1-(1,4-dihydroquinazolin-6-yl)-2-(2,2-dimethylpropanoyloxy)ethyl] benzoate; prop-2-yn-1-amine Traditional Name: benzoic acid [1-(1,4-dihydroquinazolin-6-yl)-2-pivaloyloxy-ethyl] ester; propargylamine Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC(C1=CC2=C(C=C1)NC=NC2)OC(=O)C3=CC=CC=C3.C#CCN

Isomeric SMILES

CC(C)(C)C(=O)OCC(C1=CC2=C(C=C1)NC=NC2)OC(=O)C3=CC=CC=C3.C#CCN

InChI

InChI=1S/C22H24N2O4.C3H5N/c1-22(2,3)21(26)27-13-19(28-20(25)15-7-5-4-6-8-15)16-9-10-18-17(11-16)12-23-14-24-18;1-2-3-4/h4-11,14,19H,12-13H2,1-3H3,(H,23,24);1H,3-4H2