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

Systemtic Name: (phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(pentylcarbamoyl)benzoate Openeye Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(pentylcarbamoyl)benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[oxo-(pentylamino)methyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(pentylcarbamoyl)benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-(amylcarbamoyl)benzoic acid benzyl ester Formula: C34H34N4O4 MolecularWeight: 562.65816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=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

CCCCCNC(=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/C34H34N4O4/c1-2-3-9-20-37-32(39)25-16-19-28(30(21-25)34(41)42-22-23-10-5-4-6-11-23)27-12-7-8-13-29(27)33(40)38-26-17-14-24(15-18-26)31(35)36/h4-8,10-19,21H,2-3,9,20,22H2,1H3,(H3,35,36)(H,37,39)(H,38,40)