methyl 3-(4-aminophenyl)adamantane-1-carboxylate hydrochloride

Systemtic Name: methyl 3-(4-aminophenyl)adamantane-1-carboxylate hydrochloride Openeye Name: methyl 3-(4-aminophenyl)adamantane-1-carboxylate hydrochloride CAS Name: 3-(4-aminophenyl)-1-adamantanecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 3-(4-aminophenyl)adamantane-1-carboxylate hydrochloride Traditional Name: 3-(4-aminophenyl)adamantane-1-carboxylic acid methyl ester hydrochloride Formula: C18H24ClNO2 MolecularWeight: 321.84166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)N.Cl

Isomeric SMILES

COC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=C(C=C4)N.Cl

InChI

InChI=1S/C18H23NO2.ClH/c1-21-16(20)18-9-12-6-13(10-18)8-17(7-12,11-18)14-2-4-15(19)5-3-14;/h2-5,12-13H,6-11,19H2,1H3;1H