(phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(2,2-dimethyl-3-oxidanyl-propyl)carbamoyl]benzoate

Systemtic Name: (phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(2,2-dimethyl-3-oxidanyl-propyl)carbamoyl]benzoate Openeye Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(3-hydroxy-2,2-dimethyl-propyl)carbamoyl]benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[[(3-hydroxy-2,2-dimethylpropyl)amino]-oxomethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-[(3-hydroxy-2,2-dimethyl-propyl)carbamoyl]benzoic acid benzyl ester Formula: C34H34N4O5 MolecularWeight: 578.65756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)OCC4=CC=CC=C4)CO

Isomeric SMILES

CC(C)(CNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)OCC4=CC=CC=C4)CO

InChI

InChI=1S/C34H34N4O5/c1-34(2,21-39)20-37-31(40)24-14-17-27(29(18-24)33(42)43-19-22-8-4-3-5-9-22)26-10-6-7-11-28(26)32(41)38-25-15-12-23(13-16-25)30(35)36/h3-18,39H,19-21H2,1-2H3,(H3,35,36)(H,37,40)(H,38,41)