ethyl 4-[[5-carbamimidoyl-2-[[(3-methylphenyl)carbonylamino]methyl]phenoxy]methyl]benzoate

Systemtic Name: ethyl 4-[[5-carbamimidoyl-2-[[(3-methylphenyl)carbonylamino]methyl]phenoxy]methyl]benzoate Openeye Name: ethyl 4-[[5-carbamimidoyl-2-[[(3-methylbenzoyl)amino]methyl]phenoxy]methyl]benzoate CAS Name: 4-[[5-carbamimidoyl-2-[[[(3-methylphenyl)-oxomethyl]amino]methyl]phenoxy]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-carbamimidoyl-2-[[(3-methylbenzoyl)amino]methyl]phenoxy]methyl]benzoate Traditional Name: 4-[[5-amidino-2-[(m-toluoylamino)methyl]phenoxy]methyl]benzoic acid ethyl ester Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)COC2=C(C=CC(=C2)C(=N)N)CNC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)COC2=C(C=CC(=C2)C(=N)N)CNC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C26H27N3O4/c1-3-32-26(31)19-9-7-18(8-10-19)16-33-23-14-20(24(27)28)11-12-22(23)15-29-25(30)21-6-4-5-17(2)13-21/h4-14H,3,15-16H2,1-2H3,(H3,27,28)(H,29,30)