2-(1,3-benzodioxol-5-ylmethyl)-7-chloranyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-7-chloranyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-7-chloro-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-7-chloro-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-7-chloro-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 7-chloro-2-piperonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C18H16ClNO4 MolecularWeight: 345.77694

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C1C=CC(=C2)Cl)CC3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

C1C(N(CC2=C1C=CC(=C2)Cl)CC3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C18H16ClNO4/c19-14-3-2-12-7-15(18(21)22)20(9-13(12)6-14)8-11-1-4-16-17(5-11)24-10-23-16/h1-6,15H,7-10H2,(H,21,22)