methyl 3-(3-carbamimidoylphenyl)-5-[[(4-dimethylaminophenyl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(4-dimethylaminophenyl)carbonylamino]methyl]benzoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-[[[4-(dimethylamino)benzoyl]amino]methyl]benzoate CAS Name: 3-(3-carbamimidoylphenyl)-5-[[[(4-dimethylaminophenyl)-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-[[[4-(dimethylamino)benzoyl]amino]methyl]benzoate Traditional Name: 3-(3-amidinophenyl)-5-[[[4-(dimethylamino)benzoyl]amino]methyl]benzoic acid methyl ester Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O3/c1-29(2)22-9-7-17(8-10-22)24(30)28-15-16-11-20(14-21(12-16)25(31)32-3)18-5-4-6-19(13-18)23(26)27/h4-14H,15H2,1-3H3,(H3,26,27)(H,28,30)