methyl 3-(3-carbamimidoylphenyl)-5-[[(4-propan-2-ylphenyl)carbonylamino]methyl]benzoate

Systemtic Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(4-propan-2-ylphenyl)carbonylamino]methyl]benzoate Openeye Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(4-isopropylbenzoyl)amino]methyl]benzoate CAS Name: 3-(3-carbamimidoylphenyl)-5-[[[oxo-(4-propan-2-ylphenyl)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(3-carbamimidoylphenyl)-5-[[(4-propan-2-ylbenzoyl)amino]methyl]benzoate Traditional Name: 3-(3-amidinophenyl)-5-[(cumoylamino)methyl]benzoic acid methyl ester Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(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/C26H27N3O3/c1-16(2)18-7-9-19(10-8-18)25(30)29-15-17-11-22(14-23(12-17)26(31)32-3)20-5-4-6-21(13-20)24(27)28/h4-14,16H,15H2,1-3H3,(H3,27,28)(H,29,30)