[5-(4-methylphenyl)carbonyloxy-4-(2-pyrrolidin-1-ylpropyl)naphthalen-1-yl] 4-methylbenzoate hydrochloride

Systemtic Name: [5-(4-methylphenyl)carbonyloxy-4-(2-pyrrolidin-1-ylpropyl)naphthalen-1-yl] 4-methylbenzoate hydrochloride Openeye Name: [5-(4-methylbenzoyl)oxy-4-(2-pyrrolidin-1-ylpropyl)-1-naphthyl] 4-methylbenzoate hydrochloride CAS Name: 4-methylbenzoic acid [5-[(4-methylphenyl)-oxomethoxy]-4-[2-(1-pyrrolidinyl)propyl]-1-naphthalenyl] ester hydrochloride IUPAC Name: [5-(4-methylbenzoyl)oxy-4-(2-pyrrolidin-1-ylpropyl)naphthalen-1-yl] 4-methylbenzoate hydrochloride Traditional Name: 4-methylbenzoic acid [5-p-toluoyloxy-4-(2-pyrrolidinopropyl)-1-naphthyl] ester hydrochloride Formula: C33H34ClNO4 MolecularWeight: 544.08036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C3C=CC=C(C3=C(C=C2)CC(C)N4CCCC4)OC(=O)C5=CC=C(C=C5)C.Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C3C=CC=C(C3=C(C=C2)CC(C)N4CCCC4)OC(=O)C5=CC=C(C=C5)C.Cl

InChI

InChI=1S/C33H33NO4.ClH/c1-22-9-13-25(14-10-22)32(35)37-29-18-17-27(21-24(3)34-19-4-5-20-34)31-28(29)7-6-8-30(31)38-33(36)26-15-11-23(2)12-16-26;/h6-18,24H,4-5,19-21H2,1-3H3;1H