methyl 5-[[tert-butyl(methyl)amino]carbamoyl]-2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate

Systemtic Name: methyl 5-[[tert-butyl(methyl)amino]carbamoyl]-2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate Openeye Name: methyl 5-[[tert-butyl(methyl)amino]carbamoyl]-2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate CAS Name: 5-[(2-tert-butyl-2-methylhydrazinyl)-oxomethyl]-2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 5-[[tert-butyl(methyl)amino]carbamoyl]-2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-[[tert-butyl(methyl)amino]carbamoyl]benzoic acid methyl ester Formula: C28H31N5O4 MolecularWeight: 501.57684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(C)NC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)OC

Isomeric SMILES

CC(C)(C)N(C)NC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)OC

InChI

InChI=1S/C28H31N5O4/c1-28(2,3)33(4)32-25(34)18-12-15-21(23(16-18)27(36)37-5)20-8-6-7-9-22(20)26(35)31-19-13-10-17(11-14-19)24(29)30/h6-16H,1-5H3,(H3,29,30)(H,31,35)(H,32,34)