2-[(7-cyclohexyloxy-1-methyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(7-cyclohexyloxy-1-methyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[[7-(cyclohexoxy)-4-hydroxy-1-methyl-isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[(7-cyclohexyloxy-4-hydroxy-1-methyl-3-isoquinolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(7-cyclohexyloxy-4-hydroxy-1-methylisoquinoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[[7-(cyclohexoxy)-4-hydroxy-1-methyl-isoquinoline-3-carbonyl]amino]acetic acid Formula: C19H22N2O5 MolecularWeight: 358.38838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C2=C1C=C(C=C2)OC3CCCCC3)O)C(=O)NCC(=O)O

Isomeric SMILES

CC1=NC(=C(C2=C1C=C(C=C2)OC3CCCCC3)O)C(=O)NCC(=O)O

InChI

InChI=1S/C19H22N2O5/c1-11-15-9-13(26-12-5-3-2-4-6-12)7-8-14(15)18(24)17(21-11)19(25)20-10-16(22)23/h7-9,12,24H,2-6,10H2,1H3,(H,20,25)(H,22,23)