methyl 3-(3-carbamimidoylphenyl)-5-[[(4-methylphenyl)carbamoylamino]methyl]benzoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(4-methylphenyl)carbamoylamino]methyl]benzoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-[(p-tolylcarbamoylamino)methyl]benzoate CAS Name: 3-(3-carbamimidoylphenyl)-5-[[[(4-methylanilino)-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(4-methylphenyl)carbamoylamino]methyl]benzoate Traditional Name: 3-(3-amidinophenyl)-5-[(p-tolylcarbamoylamino)methyl]benzoic acid methyl ester Formula: C24H24N4O3 MolecularWeight: 416.47236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O3/c1-15-6-8-21(9-7-15)28-24(30)27-14-16-10-19(13-20(11-16)23(29)31-2)17-4-3-5-18(12-17)22(25)26/h3-13H,14H2,1-2H3,(H3,25,26)(H2,27,28,30)