4-(aminomethyl)benzoate; 4-(1-azanyl-2-oxidanylidene-2-phenylmethoxy-ethyl)cyclohexane-1-carboxylate; hydrochloride

Systemtic Name: 4-(aminomethyl)benzoate; 4-(1-azanyl-2-oxidanylidene-2-phenylmethoxy-ethyl)cyclohexane-1-carboxylate; hydrochloride Openeye Name: 4-(1-amino-2-benzyloxy-2-oxo-ethyl)cyclohexanecarboxylate; 4-(aminomethyl)benzoate; hydrochloride CAS Name: 4-(aminomethyl)benzoate; 4-(1-amino-2-oxo-2-phenylmethoxyethyl)-1-cyclohexanecarboxylate; hydrochloride IUPAC Name: 4-(aminomethyl)benzoate; 4-(1-amino-2-oxo-2-phenylmethoxyethyl)cyclohexane-1-carboxylate; hydrochloride Traditional Name: 4-(1-amino-2-benzoxy-2-keto-ethyl)cyclohexanecarboxylate; 4-(aminomethyl)benzoate; hydrochloride Formula: C24H29ClN2O6-2 MolecularWeight: 476.94986

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(C(=O)OCC2=CC=CC=C2)N)C(=O)[O-].C1=CC(=CC=C1CN)C(=O)[O-].Cl

Isomeric SMILES

C1CC(CCC1C(C(=O)OCC2=CC=CC=C2)N)C(=O)[O-].C1=CC(=CC=C1CN)C(=O)[O-].Cl

InChI

InChI=1S/C16H21NO4.C8H9NO2.ClH/c17-14(12-6-8-13(9-7-12)15(18)19)16(20)21-10-11-4-2-1-3-5-11;9-5-6-1-3-7(4-2-6)8(10)11;/h1-5,12-14H,6-10,17H2,(H,18,19);1-4H,5,9H2,(H,10,11);1H/p-2