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

Systemtic Name: (phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(methylaminomethyl)benzoate Openeye Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(methylaminomethyl)benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-(methylaminomethyl)benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(methylaminomethyl)benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-(methylaminomethyl)benzoic acid benzyl ester Formula: C30H28N4O3 MolecularWeight: 492.56832

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=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

CNCC1=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/C30H28N4O3/c1-33-18-21-11-16-25(27(17-21)30(36)37-19-20-7-3-2-4-8-20)24-9-5-6-10-26(24)29(35)34-23-14-12-22(13-15-23)28(31)32/h2-17,33H,18-19H2,1H3,(H3,31,32)(H,34,35)