1-[4-(6,7-dimethoxyquinazolin-4-yl)-2-methyl-1-phenyl-but-3-yn-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-(6,7-dimethoxyquinazolin-4-yl)-2-methyl-1-phenyl-but-3-yn-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[1-benzyl-3-(6,7-dimethoxyquinazolin-4-yl)-1-methyl-prop-2-ynyl]piperidine-4-carboxylic acid CAS Name: 1-[4-(6,7-dimethoxy-4-quinazolinyl)-2-methyl-1-phenylbut-3-yn-2-yl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(6,7-dimethoxyquinazolin-4-yl)-2-methyl-1-phenylbut-3-yn-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[1-benzyl-3-(6,7-dimethoxyquinazolin-4-yl)-1-methyl-prop-2-ynyl]isonipecotic acid Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)(C#CC2=NC=NC3=CC(=C(C=C32)OC)OC)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC(CC1=CC=CC=C1)(C#CC2=NC=NC3=CC(=C(C=C32)OC)OC)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C27H29N3O4/c1-27(17-19-7-5-4-6-8-19,30-13-10-20(11-14-30)26(31)32)12-9-22-21-15-24(33-2)25(34-3)16-23(21)29-18-28-22/h4-8,15-16,18,20H,10-11,13-14,17H2,1-3H3,(H,31,32)