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

Systemtic Name: (phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-methyl-benzoate Openeye Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-methyl-benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-methylbenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-methylbenzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-methyl-benzoic acid benzyl ester Formula: C29H25N3O3 MolecularWeight: 463.5271

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C29H25N3O3/c1-19-11-16-24(26(17-19)29(34)35-18-20-7-3-2-4-8-20)23-9-5-6-10-25(23)28(33)32-22-14-12-21(13-15-22)27(30)31/h2-17H,18H2,1H3,(H3,30,31)(H,32,33)