(phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(hexylcarbamoyl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=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

CCCCCCNC(=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/c1-2-3-4-10-21-38-33(40)26-17-20-29(31(22-26)35(42)43-23-24-11-6-5-7-12-24)28-13-8-9-14-30(28)34(41)39-27-18-15-25(16-19-27)32(36)37/h5-9,11-20,22H,2-4,10,21,23H2,1H3,(H3,36,37)(H,38,40)(H,39,41)