[5-(aminomethyl)-3-(4-methylphenyl)carbonyloxy-naphthalen-2-yl] 4-methylbenzoate hydrochloride

Systemtic Name: [5-(aminomethyl)-3-(4-methylphenyl)carbonyloxy-naphthalen-2-yl] 4-methylbenzoate hydrochloride Openeye Name: [5-(aminomethyl)-3-(4-methylbenzoyl)oxy-2-naphthyl] 4-methylbenzoate hydrochloride CAS Name: 4-methylbenzoic acid [5-(aminomethyl)-3-[(4-methylphenyl)-oxomethoxy]-2-naphthalenyl] ester hydrochloride IUPAC Name: [5-(aminomethyl)-3-(4-methylbenzoyl)oxynaphthalen-2-yl] 4-methylbenzoate hydrochloride Traditional Name: 4-methylbenzoic acid [5-(aminomethyl)-3-p-toluoyloxy-2-naphthyl] ester hydrochloride Formula: C27H24ClNO4 MolecularWeight: 461.93676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C=C3C(=C2)C=CC=C3CN)OC(=O)C4=CC=C(C=C4)C.Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=C3C(=C2)C=CC=C3CN)OC(=O)C4=CC=C(C=C4)C.Cl

InChI

InChI=1S/C27H23NO4.ClH/c1-17-6-10-19(11-7-17)26(29)31-24-14-21-4-3-5-22(16-28)23(21)15-25(24)32-27(30)20-12-8-18(2)9-13-20;/h3-15H,16,28H2,1-2H3;1H