methyl 2-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-6-oxidanylidene-piperidine-4-carboxylate

Systemtic Name: methyl 2-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-6-oxidanylidene-piperidine-4-carboxylate Openeye Name: methyl 2-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-6-oxo-piperidine-4-carboxylate CAS Name: 2-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-6-oxo-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-carbamimidoylphenyl)phenoxy]methyl]-6-oxopiperidine-4-carboxylate Traditional Name: 2-[[4-(4-amidinophenyl)phenoxy]methyl]-6-keto-isonipecotic acid methyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(NC(=O)C1)COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)C1CC(NC(=O)C1)COC2=CC=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

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