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

Systemtic Name: (phenylmethyl) 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(2-methoxyethoxy)benzoate Openeye Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(2-methoxyethoxy)benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-(2-methoxyethoxy)benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(2-methoxyethoxy)benzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-(2-methoxyethoxy)benzoic acid benzyl ester Formula: C31H29N3O5 MolecularWeight: 523.57906

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=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

COCCOC1=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/C31H29N3O5/c1-37-17-18-38-24-15-16-26(28(19-24)31(36)39-20-21-7-3-2-4-8-21)25-9-5-6-10-27(25)30(35)34-23-13-11-22(12-14-23)29(32)33/h2-16,19H,17-18,20H2,1H3,(H3,32,33)(H,34,35)