[6-(1-azanylpropan-2-yl)-4-(phenylcarbonyloxy)naphthalen-2-yl] benzoate hydrochloride

Systemtic Name: [6-(1-azanylpropan-2-yl)-4-(phenylcarbonyloxy)naphthalen-2-yl] benzoate hydrochloride Openeye Name: [6-(2-amino-1-methyl-ethyl)-4-benzoyloxy-2-naphthyl] benzoate hydrochloride CAS Name: benzoic acid [6-(1-aminopropan-2-yl)-4-benzoyloxy-2-naphthalenyl] ester hydrochloride IUPAC Name: [6-(1-aminopropan-2-yl)-4-benzoyloxynaphthalen-2-yl] benzoate hydrochloride Traditional Name: benzoic acid [6-(2-amino-1-methyl-ethyl)-4-benzoyloxy-2-naphthyl] ester hydrochloride Formula: C27H24ClNO4 MolecularWeight: 461.93676

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN)C1=CC2=C(C=C(C=C2C=C1)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4.Cl

Isomeric SMILES

CC(CN)C1=CC2=C(C=C(C=C2C=C1)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4.Cl

InChI

InChI=1S/C27H23NO4.ClH/c1-18(17-28)21-12-13-22-14-23(31-26(29)19-8-4-2-5-9-19)16-25(24(22)15-21)32-27(30)20-10-6-3-7-11-20;/h2-16,18H,17,28H2,1H3;1H