1-(2-acetamidopent-4-ynoyl)-2-(7-methoxy-2-phenyl-quinolin-4-yl)oxy-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2-acetamidopent-4-ynoyl)-2-(7-methoxy-2-phenyl-quinolin-4-yl)oxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-(2-acetamidopent-4-ynoyl)-2-[(7-methoxy-2-phenyl-4-quinolyl)oxy]pyrrolidine-2-carboxylic acid CAS Name: 1-(2-acetamido-1-oxopent-4-ynyl)-2-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-acetamidopent-4-ynoyl)-2-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxylic acid Traditional Name: 1-(2-acetamidopent-4-ynoyl)-2-[(7-methoxy-2-phenyl-4-quinolyl)oxy]proline Formula: C28H27N3O6 MolecularWeight: 501.53048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC#C)C(=O)N1CCCC1(C(=O)O)OC2=CC(=NC3=C2C=CC(=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC(CC#C)C(=O)N1CCCC1(C(=O)O)OC2=CC(=NC3=C2C=CC(=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C28H27N3O6/c1-4-9-22(29-18(2)32)26(33)31-15-8-14-28(31,27(34)35)37-25-17-23(19-10-6-5-7-11-19)30-24-16-20(36-3)12-13-21(24)25/h1,5-7,10-13,16-17,22H,8-9,14-15H2,2-3H3,(H,29,32)(H,34,35)