2-(1,3-benzodioxol-5-ylmethyl)-1-oxidanylidene-4-phenyl-6-piperidin-1-yl-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-1-oxidanylidene-4-phenyl-6-piperidin-1-yl-isoquinoline-3-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-4-phenyl-6-(1-piperidyl)isoquinoline-3-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-4-phenyl-6-(1-piperidinyl)-3-isoquinolinecarboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-1-oxo-4-phenyl-6-piperidin-1-ylisoquinoline-3-carboxylic acid Traditional Name: 1-keto-4-phenyl-6-piperidino-2-piperonyl-isoquinoline-3-carboxylic acid Formula: C29H26N2O5 MolecularWeight: 482.52714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC3=C(C=C2)C(=O)N(C(=C3C4=CC=CC=C4)C(=O)O)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCN(CC1)C2=CC3=C(C=C2)C(=O)N(C(=C3C4=CC=CC=C4)C(=O)O)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H26N2O5/c32-28-22-11-10-21(30-13-5-2-6-14-30)16-23(22)26(20-7-3-1-4-8-20)27(29(33)34)31(28)17-19-9-12-24-25(15-19)36-18-35-24/h1,3-4,7-12,15-16H,2,5-6,13-14,17-18H2,(H,33,34)