(phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-methyl-phenyl]-4-chloranyl-benzoate

Systemtic Name: (phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-methyl-phenyl]-4-chloranyl-benzoate Openeye Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-methyl-phenyl]-4-chloro-benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-methylphenyl]-4-chlorobenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-methylphenyl]-4-chlorobenzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-4-methyl-phenyl]-4-chloro-benzoic acid benzyl ester Formula: C29H24ClN3O3 MolecularWeight: 497.97216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C(C=CC(=C2)Cl)C(=O)OCC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C(C=CC(=C2)Cl)C(=O)OCC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C29H24ClN3O3/c1-18-7-13-23(26(15-18)28(34)33-22-11-8-20(9-12-22)27(31)32)25-16-21(30)10-14-24(25)29(35)36-17-19-5-3-2-4-6-19/h2-16H,17H2,1H3,(H3,31,32)(H,33,34)