1-[2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]-4-phenethyl-1,4-diazepane-2-carboxylic acid

Systemtic Name: 1-[2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]-4-phenethyl-1,4-diazepane-2-carboxylic acid Openeye Name: 1-[2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]-4-phenethyl-1,4-diazepane-2-carboxylic acid CAS Name: 1-[2-hydroxy-2-(6-methoxy-4-quinolinyl)ethyl]-4-phenethyl-1,4-diazepane-2-carboxylic acid IUPAC Name: 1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-4-phenethyl-1,4-diazepane-2-carboxylic acid Traditional Name: 1-[2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]-4-phenethyl-1,4-diazepane-2-carboxylic acid Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(CN3CCCN(CC3C(=O)O)CCC4=CC=CC=C4)O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(CN3CCCN(CC3C(=O)O)CCC4=CC=CC=C4)O

InChI

InChI=1S/C26H31N3O4/c1-33-20-8-9-23-22(16-20)21(10-12-27-23)25(30)18-29-14-5-13-28(17-24(29)26(31)32)15-11-19-6-3-2-4-7-19/h2-4,6-10,12,16,24-25,30H,5,11,13-15,17-18H2,1H3,(H,31,32)