(phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(3,3-dimethylbutylcarbamoyl)benzoate

Systemtic Name: (phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(3,3-dimethylbutylcarbamoyl)benzoate Openeye Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(3,3-dimethylbutylcarbamoyl)benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[(3,3-dimethylbutylamino)-oxomethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(3,3-dimethylbutylcarbamoyl)benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-(3,3-dimethylbutylcarbamoyl)benzoic acid benzyl ester Formula: C35H36N4O4 MolecularWeight: 576.68474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCNC(=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

Isomeric SMILES

CC(C)(C)CCNC(=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

InChI

InChI=1S/C35H36N4O4/c1-35(2,3)19-20-38-32(40)25-15-18-28(30(21-25)34(42)43-22-23-9-5-4-6-10-23)27-11-7-8-12-29(27)33(41)39-26-16-13-24(14-17-26)31(36)37/h4-18,21H,19-20,22H2,1-3H3,(H3,36,37)(H,38,40)(H,39,41)