[6-(2-azanylpropyl)-3-(4-methylphenyl)carbonyloxy-naphthalen-2-yl] 4-methylbenzoate hydrochloride

Systemtic Name: [6-(2-azanylpropyl)-3-(4-methylphenyl)carbonyloxy-naphthalen-2-yl] 4-methylbenzoate hydrochloride Openeye Name: [6-(2-aminopropyl)-3-(4-methylbenzoyl)oxy-2-naphthyl] 4-methylbenzoate hydrochloride CAS Name: 4-methylbenzoic acid [6-(2-aminopropyl)-3-[(4-methylphenyl)-oxomethoxy]-2-naphthalenyl] ester hydrochloride IUPAC Name: [6-(2-aminopropyl)-3-(4-methylbenzoyl)oxynaphthalen-2-yl] 4-methylbenzoate hydrochloride Traditional Name: 4-methylbenzoic acid [6-(2-aminopropyl)-3-p-toluoyloxy-2-naphthyl] ester hydrochloride Formula: C29H28ClNO4 MolecularWeight: 489.98992

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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)CC(C)N)OC(=O)C4=CC=C(C=C4)C.Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=C3C=C(C=CC3=C2)CC(C)N)OC(=O)C4=CC=C(C=C4)C.Cl

InChI

InChI=1S/C29H27NO4.ClH/c1-18-4-9-22(10-5-18)28(31)33-26-16-24-13-8-21(14-20(3)30)15-25(24)17-27(26)34-29(32)23-11-6-19(2)7-12-23;/h4-13,15-17,20H,14,30H2,1-3H3;1H