methyl 3-(3-carbamimidoylphenyl)-5-[[(4-methyl-1H-pyrrol-2-yl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(4-methyl-1H-pyrrol-2-yl)carbonylamino]methyl]benzoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(4-methyl-1H-pyrrole-2-carbonyl)amino]methyl]benzoate CAS Name: 3-(3-carbamimidoylphenyl)-5-[[[(4-methyl-1H-pyrrol-2-yl)-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(4-methyl-1H-pyrrole-2-carbonyl)amino]methyl]benzoate Traditional Name: 3-(3-amidinophenyl)-5-[[(4-methyl-1H-pyrrole-2-carbonyl)amino]methyl]benzoic acid methyl ester Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC(=C1)C(=O)NCC2=CC(=CC(=C2)C(=O)OC)C3=CC(=CC=C3)C(=N)N

Isomeric SMILES

CC1=CNC(=C1)C(=O)NCC2=CC(=CC(=C2)C(=O)OC)C3=CC(=CC=C3)C(=N)N

InChI

InChI=1S/C22H22N4O3/c1-13-6-19(25-11-13)21(27)26-12-14-7-17(10-18(8-14)22(28)29-2)15-4-3-5-16(9-15)20(23)24/h3-11,25H,12H2,1-2H3,(H3,23,24)(H,26,27)