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

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(3,4-dimethylphenyl)carbonylamino]methyl]benzoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(3,4-dimethylbenzoyl)amino]methyl]benzoate CAS Name: 3-(3-carbamimidoylphenyl)-5-[[[(3,4-dimethylphenyl)-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(3,4-dimethylbenzoyl)amino]methyl]benzoate Traditional Name: 3-(3-amidinophenyl)-5-[[(3,4-dimethylbenzoyl)amino]methyl]benzoic acid methyl ester Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3/c1-15-7-8-20(9-16(15)2)24(29)28-14-17-10-21(13-22(11-17)25(30)31-3)18-5-4-6-19(12-18)23(26)27/h4-13H,14H2,1-3H3,(H3,26,27)(H,28,29)