(phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-3-phenylmethoxy-phenyl]benzoate

Systemtic Name: (phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-3-phenylmethoxy-phenyl]benzoate Openeye Name: benzyl 2-[3-benzyloxy-2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-3-phenylmethoxyphenyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-3-phenylmethoxyphenyl]benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-3-benzoxy-phenyl]benzoic acid benzyl ester Formula: C35H29N3O4 MolecularWeight: 555.62246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C4=CC=CC=C4C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C4=CC=CC=C4C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C35H29N3O4/c36-33(37)26-18-20-27(21-19-26)38-34(39)32-29(16-9-17-31(32)41-22-24-10-3-1-4-11-24)28-14-7-8-15-30(28)35(40)42-23-25-12-5-2-6-13-25/h1-21H,22-23H2,(H3,36,37)(H,38,39)