methyl 1-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxidanylidene-piperidine-4-carboxylate hydrochloride

Systemtic Name: methyl 1-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxidanylidene-piperidine-4-carboxylate hydrochloride Openeye Name: methyl 1-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-piperidine-4-carboxylate hydrochloride CAS Name: 1-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxo-4-piperidinecarboxylic acid methyl ester hydrochloride IUPAC Name: methyl 1-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-2-oxopiperidine-4-carboxylate hydrochloride Traditional Name: 1-[[4-(4-amidinophenyl)phenoxy]methyl]-2-keto-isonipecotic acid methyl ester hydrochloride Formula: C21H24ClN3O4 MolecularWeight: 417.88596

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(C(=O)C1)COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

COC(=O)C1CCN(C(=O)C1)COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C21H23N3O4.ClH/c1-27-21(26)17-10-11-24(19(25)12-17)13-28-18-8-6-15(7-9-18)14-2-4-16(5-3-14)20(22)23;/h2-9,17H,10-13H2,1H3,(H3,22,23);1H