4-[[2-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[2-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 4-[[[2-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[(2-piperonyl-3,4-dihydro-1H-isoquinolin-1-yl)carbamoyl]cyclohexanecarboxylic acid Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)NC2C3=CC=CC=C3CCN2CC4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

C1CC(CCC1C(=O)NC2C3=CC=CC=C3CCN2CC4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C25H28N2O5/c28-24(18-6-8-19(9-7-18)25(29)30)26-23-20-4-2-1-3-17(20)11-12-27(23)14-16-5-10-21-22(13-16)32-15-31-21/h1-5,10,13,18-19,23H,6-9,11-12,14-15H2,(H,26,28)(H,29,30)