methyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(3-methyl-1-oxidanyl-butan-2-yl)carbamoyl]benzoate

Systemtic Name: methyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(3-methyl-1-oxidanyl-butan-2-yl)carbamoyl]benzoate Openeye Name: methyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[[1-(hydroxymethyl)-2-methyl-propyl]carbamoyl]benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[[(1-hydroxy-3-methylbutan-2-yl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(1-hydroxy-3-methylbutan-2-yl)carbamoyl]benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-[(2-methyl-1-methylol-propyl)carbamoyl]benzoic acid methyl ester Formula: C28H30N4O5 MolecularWeight: 502.5616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)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(CO)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/C28H30N4O5/c1-16(2)24(15-33)32-26(34)18-10-13-21(23(14-18)28(36)37-3)20-6-4-5-7-22(20)27(35)31-19-11-8-17(9-12-19)25(29)30/h4-14,16,24,33H,15H2,1-3H3,(H3,29,30)(H,31,35)(H,32,34)