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

Systemtic Name: (5-acetyloxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-6-yl) piperidine-4-carboxylate Openeye Name: (5-acetoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-6-yl) piperidine-4-carboxylate CAS Name: 4-piperidinecarboxylic acid (5-acetyloxy-2,2-dimethyl-3,4-dihydrobenzo[h][1]benzopyran-6-yl) ester IUPAC Name: (5-acetyloxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-6-yl) piperidine-4-carboxylate Traditional Name: isonipecotic acid (5-acetoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-6-yl) ester Formula: C23H27NO5 MolecularWeight: 397.46418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO5/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