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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NCC2=CC(=CC(=C2)C(=O)OC)C3=CC(=CC=C3)C(=N)N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NCC2=CC(=CC(=C2)C(=O)OC)C3=CC(=CC=C3)C(=N)N

InChI

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