3-pyrrolidin-1-ylpropyl 2-(2,5-dimethylphenyl)-2-oxidanyl-2-phenyl-ethanoate hydrochloride

Systemtic Name: 3-pyrrolidin-1-ylpropyl 2-(2,5-dimethylphenyl)-2-oxidanyl-2-phenyl-ethanoate hydrochloride Openeye Name: 3-pyrrolidin-1-ylpropyl 2-(2,5-dimethylphenyl)-2-hydroxy-2-phenyl-acetate hydrochloride CAS Name: 2-(2,5-dimethylphenyl)-2-hydroxy-2-phenylacetic acid 3-(1-pyrrolidinyl)propyl ester hydrochloride IUPAC Name: 3-pyrrolidin-1-ylpropyl 2-(2,5-dimethylphenyl)-2-hydroxy-2-phenylacetate hydrochloride Traditional Name: 2-(2,5-dimethylphenyl)-2-hydroxy-2-phenyl-acetic acid 3-pyrrolidinopropyl ester hydrochloride Formula: C23H30ClNO3 MolecularWeight: 403.9422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C2=CC=CC=C2)(C(=O)OCCCN3CCCC3)O.Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C2=CC=CC=C2)(C(=O)OCCCN3CCCC3)O.Cl

InChI

InChI=1S/C23H29NO3.ClH/c1-18-11-12-19(2)21(17-18)23(26,20-9-4-3-5-10-20)22(25)27-16-8-15-24-13-6-7-14-24;/h3-5,9-12,17,26H,6-8,13-16H2,1-2H3;1H