(5-acetyloxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-6-yl) piperidine-4-carboxylate hydrochloride

Systemtic Name: (5-acetyloxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-6-yl) piperidine-4-carboxylate hydrochloride Openeye Name: (5-acetoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-6-yl) piperidine-4-carboxylate hydrochloride CAS Name: 4-piperidinecarboxylic acid (5-acetyloxy-2,2-dimethyl-3,4-dihydrobenzo[h][1]benzopyran-6-yl) ester hydrochloride IUPAC Name: (5-acetyloxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-6-yl) piperidine-4-carboxylate hydrochloride Traditional Name: isonipecotic acid (5-acetoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-6-yl) ester hydrochloride Formula: C23H28ClNO5 MolecularWeight: 433.92512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C2=CC=CC=C2C3=C1CCC(O3)(C)C)OC(=O)C4CCNCC4.Cl

Isomeric SMILES

CC(=O)OC1=C(C2=CC=CC=C2C3=C1CCC(O3)(C)C)OC(=O)C4CCNCC4.Cl

InChI

InChI=1S/C23H27NO5.ClH/c1-14(25)27-21-18-8-11-23(2,3)29-19(18)16-6-4-5-7-17(16)20(21)28-22(26)15-9-12-24-13-10-15;/h4-7,15,24H,8-13H2,1-3H3;1H