2-[3-(3-methylphenyl)-2-piperidin-1-yl-4H-quinazolin-4-yl]ethanoic acid

Systemtic Name: 2-[3-(3-methylphenyl)-2-piperidin-1-yl-4H-quinazolin-4-yl]ethanoic acid Openeye Name: 2-[3-(m-tolyl)-2-(1-piperidyl)-4H-quinazolin-4-yl]acetic acid CAS Name: 2-[3-(3-methylphenyl)-2-(1-piperidinyl)-4H-quinazolin-4-yl]acetic acid IUPAC Name: 2-[3-(3-methylphenyl)-2-piperidin-1-yl-4H-quinazolin-4-yl]acetic acid Traditional Name: 2-[3-(m-tolyl)-2-piperidino-4H-quinazolin-4-yl]acetic acid Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(C3=CC=CC=C3N=C2N4CCCCC4)CC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)N2C(C3=CC=CC=C3N=C2N4CCCCC4)CC(=O)O

InChI

InChI=1S/C22H25N3O2/c1-16-8-7-9-17(14-16)25-20(15-21(26)27)18-10-3-4-11-19(18)23-22(25)24-12-5-2-6-13-24/h3-4,7-11,14,20H,2,5-6,12-13,15H2,1H3,(H,26,27)