methyl 3-(3-carbamimidoylphenyl)-5-[[ethanoyl(piperidin-4-ylmethyl)amino]methyl]benzoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-[[ethanoyl(piperidin-4-ylmethyl)amino]methyl]benzoate Openeye Name: methyl 3-[[acetyl(4-piperidylmethyl)amino]methyl]-5-(3-carbamimidoylphenyl)benzoate CAS Name: 3-[[acetyl(4-piperidinylmethyl)amino]methyl]-5-(3-carbamimidoylphenyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[acetyl(piperidin-4-ylmethyl)amino]methyl]-5-(3-carbamimidoylphenyl)benzoate Traditional Name: 3-[[acetyl(4-piperidylmethyl)amino]methyl]-5-(3-amidinophenyl)benzoic acid methyl ester Formula: C24H30N4O3 MolecularWeight: 422.52

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC1CCNCC1)CC2=CC(=CC(=C2)C(=O)OC)C3=CC(=CC=C3)C(=N)N

Isomeric SMILES

CC(=O)N(CC1CCNCC1)CC2=CC(=CC(=C2)C(=O)OC)C3=CC(=CC=C3)C(=N)N

InChI

InChI=1S/C24H30N4O3/c1-16(29)28(14-17-6-8-27-9-7-17)15-18-10-21(13-22(11-18)24(30)31-2)19-4-3-5-20(12-19)23(25)26/h3-5,10-13,17,27H,6-9,14-15H2,1-2H3,(H3,25,26)