methyl 3-(3-carbamimidoylphenyl)-5-(piperidin-4-yloxymethyl)benzoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-(piperidin-4-yloxymethyl)benzoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-(4-piperidyloxymethyl)benzoate CAS Name: 3-(3-carbamimidoylphenyl)-5-(4-piperidinyloxymethyl)benzoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-(piperidin-4-yloxymethyl)benzoate Traditional Name: 3-(3-amidinophenyl)-5-(4-piperidyloxymethyl)benzoic acid methyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)COC3CCNCC3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)COC3CCNCC3

InChI

InChI=1S/C21H25N3O3/c1-26-21(25)18-10-14(13-27-19-5-7-24-8-6-19)9-17(12-18)15-3-2-4-16(11-15)20(22)23/h2-4,9-12,19,24H,5-8,13H2,1H3,(H3,22,23)