4-[[2-(1,3-benzodioxol-5-ylmethyl)-1-oxidanylidene-3,4-dihydroisoquinolin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[2-(1,3-benzodioxol-5-ylmethyl)-1-oxidanylidene-3,4-dihydroisoquinolin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-3,4-dihydroisoquinolin-3-yl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 4-[[[2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-3,4-dihydroisoquinolin-3-yl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-3,4-dihydroisoquinolin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[(1-keto-2-piperonyl-3,4-dihydroisoquinolin-3-yl)carbamoyl]cyclohexanecarboxylic acid Formula: C25H26N2O6 MolecularWeight: 450.48374

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)NC2CC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

C1CC(CCC1C(=O)NC2CC3=CC=CC=C3C(=O)N2CC4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C25H26N2O6/c28-23(16-6-8-17(9-7-16)25(30)31)26-22-12-18-3-1-2-4-19(18)24(29)27(22)13-15-5-10-20-21(11-15)33-14-32-20/h1-5,10-11,16-17,22H,6-9,12-14H2,(H,26,28)(H,30,31)