1-(6-methyl-4-phenyl-quinazolin-2-yl)piperidine-4-carboxylic acid

Systemtic Name: 1-(6-methyl-4-phenyl-quinazolin-2-yl)piperidine-4-carboxylic acid Openeye Name: 1-(6-methyl-4-phenyl-quinazolin-2-yl)piperidine-4-carboxylic acid CAS Name: 1-(6-methyl-4-phenyl-2-quinazolinyl)-4-piperidinecarboxylic acid IUPAC Name: 1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-4-carboxylic acid Traditional Name: 1-(6-methyl-4-phenyl-quinazolin-2-yl)isonipecotic acid Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C21H21N3O2/c1-14-7-8-18-17(13-14)19(15-5-3-2-4-6-15)23-21(22-18)24-11-9-16(10-12-24)20(25)26/h2-8,13,16H,9-12H2,1H3,(H,25,26)