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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-4-methoxy-benzoate Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-4-methoxy-benzoate CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-4-methoxybenzoate IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-4-methoxybenzoate Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-4-methoxy-benzoate Formula: C22H18N3O4- MolecularWeight: 388.39602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)[O-])C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)[O-])C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H19N3O4/c1-29-15-10-11-18(22(27)28)19(12-15)16-4-2-3-5-17(16)21(26)25-14-8-6-13(7-9-14)20(23)24/h2-12H,1H3,(H3,23,24)(H,25,26)(H,27,28)/p-1