3-azanyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 3-azanyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 3-amino-2-[[4-[(2-methyl-4-quinolyl)methoxy]benzoyl]amino]cyclohexanecarboxylic acid CAS Name: 3-amino-2-[[[4-[(2-methyl-4-quinolinyl)methoxy]phenyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 3-amino-2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 3-amino-2-[[4-[(2-methyl-4-quinolyl)methoxy]benzoyl]amino]cyclohexanecarboxylic acid Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)C(=O)NC4C(CCCC4N)C(=O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)C(=O)NC4C(CCCC4N)C(=O)O

InChI

InChI=1S/C25H27N3O4/c1-15-13-17(19-5-2-3-8-22(19)27-15)14-32-18-11-9-16(10-12-18)24(29)28-23-20(25(30)31)6-4-7-21(23)26/h2-3,5,8-13,20-21,23H,4,6-7,14,26H2,1H3,(H,28,29)(H,30,31)