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

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-(piperidin-4-ylmethoxymethyl)benzoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-(4-piperidylmethoxymethyl)benzoate CAS Name: 3-(3-carbamimidoylphenyl)-5-(4-piperidinylmethoxymethyl)benzoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-(piperidin-4-ylmethoxymethyl)benzoate Traditional Name: 3-(3-amidinophenyl)-5-(4-piperidylmethoxymethyl)benzoic acid methyl ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)COCC3CCNCC3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)COCC3CCNCC3

InChI

InChI=1S/C22H27N3O3/c1-27-22(26)20-10-16(14-28-13-15-5-7-25-8-6-15)9-19(12-20)17-3-2-4-18(11-17)21(23)24/h2-4,9-12,15,25H,5-8,13-14H2,1H3,(H3,23,24)