methyl 3-azanyl-2-[2-(methylamino)-3-phenyl-propanoyl]adamantane-1-carboxylate hydrochloride

Systemtic Name: methyl 3-azanyl-2-[2-(methylamino)-3-phenyl-propanoyl]adamantane-1-carboxylate hydrochloride Openeye Name: methyl 3-amino-2-[2-(methylamino)-3-phenyl-propanoyl]adamantane-1-carboxylate hydrochloride CAS Name: 3-amino-2-[2-(methylamino)-1-oxo-3-phenylpropyl]-1-adamantanecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 3-amino-2-[2-(methylamino)-3-phenylpropanoyl]adamantane-1-carboxylate hydrochloride Traditional Name: 3-amino-2-[2-(methylamino)-3-phenyl-propanoyl]adamantane-1-carboxylic acid methyl ester hydrochloride Formula: C22H31ClN2O3 MolecularWeight: 406.94614

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CC1=CC=CC=C1)C(=O)C2C3(CC4CC(C3)CC2(C4)N)C(=O)OC.Cl

Isomeric SMILES

CNC(CC1=CC=CC=C1)C(=O)C2C3(CC4CC(C3)CC2(C4)N)C(=O)OC.Cl

InChI

InChI=1S/C22H30N2O3.ClH/c1-24-17(9-14-6-4-3-5-7-14)18(25)19-21(20(26)27-2)10-15-8-16(11-21)13-22(19,23)12-15;/h3-7,15-17,19,24H,8-13,23H2,1-2H3;1H