3-pyrrolidin-1-ylbutyl 2,6-dimethyl-4-propoxy-benzoate hydrochloride

Systemtic Name: 3-pyrrolidin-1-ylbutyl 2,6-dimethyl-4-propoxy-benzoate hydrochloride Openeye Name: 3-pyrrolidin-1-ylbutyl 2,6-dimethyl-4-propoxy-benzoate hydrochloride CAS Name: 2,6-dimethyl-4-propoxybenzoic acid 3-(1-pyrrolidinyl)butyl ester hydrochloride IUPAC Name: 3-pyrrolidin-1-ylbutyl 2,6-dimethyl-4-propoxybenzoate hydrochloride Traditional Name: 2,6-dimethyl-4-propoxy-benzoic acid 3-pyrrolidinobutyl ester hydrochloride Formula: C20H32ClNO3 MolecularWeight: 369.92598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C(=C1)C)C(=O)OCCC(C)N2CCCC2)C.Cl

Isomeric SMILES

CCCOC1=CC(=C(C(=C1)C)C(=O)OCCC(C)N2CCCC2)C.Cl

InChI

InChI=1S/C20H31NO3.ClH/c1-5-11-23-18-13-15(2)19(16(3)14-18)20(22)24-12-8-17(4)21-9-6-7-10-21;/h13-14,17H,5-12H2,1-4H3;1H