[4-(2-aminocarbonyl-3-methoxy-3-oxidanylidene-propyl)phenyl] 4-(aminomethyl)cyclohexane-1-carboxylate hydrochloride

Systemtic Name: [4-(2-aminocarbonyl-3-methoxy-3-oxidanylidene-propyl)phenyl] 4-(aminomethyl)cyclohexane-1-carboxylate hydrochloride Openeye Name: [4-(2-carbamoyl-3-methoxy-3-oxo-propyl)phenyl] 4-(aminomethyl)cyclohexanecarboxylate hydrochloride CAS Name: 4-(aminomethyl)-1-cyclohexanecarboxylic acid [4-(2-carbamoyl-3-methoxy-3-oxopropyl)phenyl] ester hydrochloride IUPAC Name: [4-(2-carbamoyl-3-methoxy-3-oxopropyl)phenyl] 4-(aminomethyl)cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-(aminomethyl)cyclohexanecarboxylic acid [4-(2-carbamoyl-3-keto-3-methoxy-propyl)phenyl] ester hydrochloride Formula: C19H27ClN2O5 MolecularWeight: 398.88108

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)OC(=O)C2CCC(CC2)CN)C(=O)N.Cl

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)OC(=O)C2CCC(CC2)CN)C(=O)N.Cl

InChI

InChI=1S/C19H26N2O5.ClH/c1-25-19(24)16(17(21)22)10-12-4-8-15(9-5-12)26-18(23)14-6-2-13(11-20)3-7-14;/h4-5,8-9,13-14,16H,2-3,6-7,10-11,20H2,1H3,(H2,21,22);1H