methyl 3-(3-carbamimidoylphenyl)-5-(2-piperazin-1-ylethoxymethyl)benzoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-(2-piperazin-1-ylethoxymethyl)benzoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-(2-piperazin-1-ylethoxymethyl)benzoate CAS Name: 3-(3-carbamimidoylphenyl)-5-[2-(1-piperazinyl)ethoxymethyl]benzoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-(2-piperazin-1-ylethoxymethyl)benzoate Traditional Name: 3-(3-amidinophenyl)-5-(2-piperazinoethoxymethyl)benzoic acid methyl ester Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)COCCN3CCNCC3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)COCCN3CCNCC3

InChI

InChI=1S/C22H28N4O3/c1-28-22(27)20-12-16(15-29-10-9-26-7-5-25-6-8-26)11-19(14-20)17-3-2-4-18(13-17)21(23)24/h2-4,11-14,25H,5-10,15H2,1H3,(H3,23,24)