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

Systemtic Name: 1-[(2S)-4-(6,7-diethoxyquinazolin-4-yl)-2-methyl-1-phenyl-but-3-yn-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[(1S)-1-benzyl-3-(6,7-diethoxyquinazolin-4-yl)-1-methyl-prop-2-ynyl]piperidine-4-carboxylic acid CAS Name: 1-[(2S)-4-(6,7-diethoxy-4-quinazolinyl)-2-methyl-1-phenylbut-3-yn-2-yl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2S)-4-(6,7-diethoxyquinazolin-4-yl)-2-methyl-1-phenylbut-3-yn-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[(1S)-1-benzyl-3-(6,7-diethoxyquinazolin-4-yl)-1-methyl-prop-2-ynyl]isonipecotic acid Formula: C29H33N3O4 MolecularWeight: 487.59002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=NC=N2)C#CC(C)(CC3=CC=CC=C3)N4CCC(CC4)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=NC=N2)C#C[C@](C)(CC3=CC=CC=C3)N4CCC(CC4)C(=O)O)OCC

InChI

InChI=1S/C29H33N3O4/c1-4-35-26-17-23-24(30-20-31-25(23)18-27(26)36-5-2)11-14-29(3,19-21-9-7-6-8-10-21)32-15-12-22(13-16-32)28(33)34/h6-10,17-18,20,22H,4-5,12-13,15-16,19H2,1-3H3,(H,33,34)/t29-/m1/s1