ethyl 1-[[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[(4-keto-3-p-phenetyl-quinazolin-2-yl)methyl]isonipecotic acid ethyl ester Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CN4CCC(CC4)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CN4CCC(CC4)C(=O)OCC

InChI

InChI=1S/C25H29N3O4/c1-3-31-20-11-9-19(10-12-20)28-23(26-22-8-6-5-7-21(22)24(28)29)17-27-15-13-18(14-16-27)25(30)32-4-2/h5-12,18H,3-4,13-17H2,1-2H3