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

Systemtic Name: (5-acetyloxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-6-yl) (2S)-pyrrolidine-2-carboxylate hydrochloride Openeye Name: (5-acetoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-6-yl) (2S)-pyrrolidine-2-carboxylate hydrochloride CAS Name: (2S)-2-pyrrolidinecarboxylic 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) (2S)-pyrrolidine-2-carboxylate hydrochloride Traditional Name: (2S)-pyrrolidine-2-carboxylic acid (5-acetoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-6-yl) ester hydrochloride Formula: C22H26ClNO5 MolecularWeight: 419.89854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C2=CC=CC=C2C3=C1CCC(O3)(C)C)OC(=O)C4CCCN4.Cl

Isomeric SMILES

CC(=O)OC1=C(C2=CC=CC=C2C3=C1CCC(O3)(C)C)OC(=O)[C@@H]4CCCN4.Cl

InChI

InChI=1S/C22H25NO5.ClH/c1-13(24)26-20-16-10-11-22(2,3)28-18(16)14-7-4-5-8-15(14)19(20)27-21(25)17-9-6-12-23-17;/h4-5,7-8,17,23H,6,9-12H2,1-3H3;1H/t17-;/m0./s1