1-[[[1,4-bis(oxidanylidene)-2,3-dihydroisoquinolin-3-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[[[1,4-bis(oxidanylidene)-2,3-dihydroisoquinolin-3-yl]carbonylamino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[[(1,4-dioxo-2,3-dihydroisoquinoline-3-carbonyl)amino]methyl]cyclohexanecarboxylic acid CAS Name: 1-[[[(1,4-dioxo-2,3-dihydroisoquinolin-3-yl)-oxomethyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[(1,4-dioxo-2,3-dihydroisoquinoline-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[[(1,4-diketo-2,3-dihydroisoquinoline-3-carbonyl)amino]methyl]cyclohexanecarboxylic acid Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2C(=O)C3=CC=CC=C3C(=O)N2)C(=O)O

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2C(=O)C3=CC=CC=C3C(=O)N2)C(=O)O

InChI

InChI=1S/C18H20N2O5/c21-14-11-6-2-3-7-12(11)15(22)20-13(14)16(23)19-10-18(17(24)25)8-4-1-5-9-18/h2-3,6-7,13H,1,4-5,8-10H2,(H,19,23)(H,20,22)(H,24,25)