(4-azanylquinazolin-2-yl)methyl 3-ethoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)benzoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 3-ethoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)benzoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 3-ethoxy-4-[2-oxo-2-(1-piperidyl)ethoxy]benzoate CAS Name: 3-ethoxy-4-[2-oxo-2-(1-piperidinyl)ethoxy]benzoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate Traditional Name: 3-ethoxy-4-(2-keto-2-piperidino-ethoxy)benzoic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C25H28N4O5 MolecularWeight: 464.51362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC2=NC3=CC=CC=C3C(=N2)N)OCC(=O)N4CCCCC4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC2=NC3=CC=CC=C3C(=N2)N)OCC(=O)N4CCCCC4

InChI

InChI=1S/C25H28N4O5/c1-2-32-21-14-17(10-11-20(21)33-16-23(30)29-12-6-3-7-13-29)25(31)34-15-22-27-19-9-5-4-8-18(19)24(26)28-22/h4-5,8-11,14H,2-3,6-7,12-13,15-16H2,1H3,(H2,26,27,28)