[3-(4-methylphenyl)carbonyloxy-6-(2-pyrrolidin-1-ylethyl)naphthalen-2-yl] 4-methylbenzoate hydrochloride

Systemtic Name: [3-(4-methylphenyl)carbonyloxy-6-(2-pyrrolidin-1-ylethyl)naphthalen-2-yl] 4-methylbenzoate hydrochloride Openeye Name: [3-(4-methylbenzoyl)oxy-6-(2-pyrrolidin-1-ylethyl)-2-naphthyl] 4-methylbenzoate hydrochloride CAS Name: 4-methylbenzoic acid [3-[(4-methylphenyl)-oxomethoxy]-6-[2-(1-pyrrolidinyl)ethyl]-2-naphthalenyl] ester hydrochloride IUPAC Name: [3-(4-methylbenzoyl)oxy-6-(2-pyrrolidin-1-ylethyl)naphthalen-2-yl] 4-methylbenzoate hydrochloride Traditional Name: 4-methylbenzoic acid [3-p-toluoyloxy-6-(2-pyrrolidinoethyl)-2-naphthyl] ester hydrochloride Formula: C32H32ClNO4 MolecularWeight: 530.05378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C=C3C=C(C=CC3=C2)CCN4CCCC4)OC(=O)C5=CC=C(C=C5)C.Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=C3C=C(C=CC3=C2)CCN4CCCC4)OC(=O)C5=CC=C(C=C5)C.Cl

InChI

InChI=1S/C32H31NO4.ClH/c1-22-5-10-25(11-6-22)31(34)36-29-20-27-14-9-24(15-18-33-16-3-4-17-33)19-28(27)21-30(29)37-32(35)26-12-7-23(2)8-13-26;/h5-14,19-21H,3-4,15-18H2,1-2H3;1H