[4-(3-oxidanylidene-3-phenacyloxy-propyl)phenyl] 4-(aminomethyl)cyclohexane-1-carboxylate hydrochloride

Systemtic Name: [4-(3-oxidanylidene-3-phenacyloxy-propyl)phenyl] 4-(aminomethyl)cyclohexane-1-carboxylate hydrochloride Openeye Name: [4-(3-oxo-3-phenacyloxy-propyl)phenyl] 4-(aminomethyl)cyclohexanecarboxylate hydrochloride CAS Name: 4-(aminomethyl)-1-cyclohexanecarboxylic acid [4-(3-oxo-3-phenacyloxypropyl)phenyl] ester hydrochloride IUPAC Name: [4-(3-oxo-3-phenacyloxypropyl)phenyl] 4-(aminomethyl)cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-(aminomethyl)cyclohexanecarboxylic acid [4-(3-keto-3-phenacyloxy-propyl)phenyl] ester hydrochloride Formula: C25H30ClNO5 MolecularWeight: 459.9624

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)C(=O)OC2=CC=C(C=C2)CCC(=O)OCC(=O)C3=CC=CC=C3.Cl

Isomeric SMILES

C1CC(CCC1CN)C(=O)OC2=CC=C(C=C2)CCC(=O)OCC(=O)C3=CC=CC=C3.Cl

InChI

InChI=1S/C25H29NO5.ClH/c26-16-19-6-11-21(12-7-19)25(29)31-22-13-8-18(9-14-22)10-15-24(28)30-17-23(27)20-4-2-1-3-5-20;/h1-5,8-9,13-14,19,21H,6-7,10-12,15-17,26H2;1H