O1-tert-butyl O3-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl] (3S)-piperidine-1,3-dicarboxylate

Systemtic Name: O1-tert-butyl O3-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl] (3S)-piperidine-1,3-dicarboxylate Openeye Name: O1-tert-butyl O3-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methyl] (3S)-piperidine-1,3-dicarboxylate CAS Name: (3S)-piperidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methyl] ester IUPAC Name: 1-O-tert-butyl 3-O-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methyl] (3S)-piperidine-1,3-dicarboxylate Traditional Name: (3S)-piperidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-[(4-keto-8-methyl-1H-quinazolin-2-yl)methyl] ester Formula: C21H27N3O5 MolecularWeight: 401.45618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C3CCCN(C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)[C@H]3CCCN(C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H27N3O5/c1-13-7-5-9-15-17(13)22-16(23-18(15)25)12-28-19(26)14-8-6-10-24(11-14)20(27)29-21(2,3)4/h5,7,9,14H,6,8,10-12H2,1-4H3,(H,22,23,25)/t14-/m0/s1