1-[1-(6-methyl-4-phenyl-quinazolin-2-yl)piperidin-4-yl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[1-(6-methyl-4-phenyl-quinazolin-2-yl)piperidin-4-yl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[1-(6-methyl-4-phenyl-quinazolin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[1-(6-methyl-4-phenyl-2-quinazolinyl)-4-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(6-methyl-4-phenylquinazolin-2-yl)piperidine-4-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-(6-methyl-4-phenyl-quinazolin-2-yl)isonipecotoyl]isonipecotic acid Formula: C27H30N4O3 MolecularWeight: 458.5521

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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)N5CCC(CC5)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)N4CCC(CC4)C(=O)N5CCC(CC5)C(=O)O

InChI

InChI=1S/C27H30N4O3/c1-18-7-8-23-22(17-18)24(19-5-3-2-4-6-19)29-27(28-23)31-15-9-20(10-16-31)25(32)30-13-11-21(12-14-30)26(33)34/h2-8,17,20-21H,9-16H2,1H3,(H,33,34)