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

Systemtic Name: (phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-3-methoxy-benzoate Openeye Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-3-methoxy-benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-3-methoxybenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-3-methoxybenzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-3-methoxy-benzoic acid benzyl ester Formula: C29H25N3O4 MolecularWeight: 479.5265

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H25N3O4/c1-35-25-13-7-12-24(29(34)36-18-19-8-3-2-4-9-19)26(25)22-10-5-6-11-23(22)28(33)32-21-16-14-20(15-17-21)27(30)31/h2-17H,18H2,1H3,(H3,30,31)(H,32,33)