1-[2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]-1,4-diazepane-5-carboxylic acid

Systemtic Name: 1-[2-(6-methoxyquinolin-4-yl)-2-oxidanyl-ethyl]-1,4-diazepane-5-carboxylic acid Openeye Name: 1-[2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]-1,4-diazepane-5-carboxylic acid CAS Name: 1-[2-hydroxy-2-(6-methoxy-4-quinolinyl)ethyl]-1,4-diazepane-5-carboxylic acid IUPAC Name: 1-[2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]-1,4-diazepane-5-carboxylic acid Traditional Name: 1-[2-hydroxy-2-(6-methoxy-4-quinolyl)ethyl]-1,4-diazepane-5-carboxylic acid Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(CN3CCC(NCC3)C(=O)O)O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(CN3CCC(NCC3)C(=O)O)O

InChI

InChI=1S/C18H23N3O4/c1-25-12-2-3-15-14(10-12)13(4-6-19-15)17(22)11-21-8-5-16(18(23)24)20-7-9-21/h2-4,6,10,16-17,20,22H,5,7-9,11H2,1H3,(H,23,24)