2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-(2-ethoxy-2-oxidanylidene-ethoxy)phenyl]benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-(2-ethoxy-2-oxidanylidene-ethoxy)phenyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-(2-ethoxy-2-oxo-ethoxy)phenyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-(2-ethoxy-2-oxoethoxy)phenyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-(2-ethoxy-2-oxoethoxy)phenyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-4-(2-ethoxy-2-keto-ethoxy)phenyl]benzoic acid Formula: C25H23N3O6 MolecularWeight: 461.46662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC(=C(C=C1)C2=CC=CC=C2C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)COC1=CC(=C(C=C1)C2=CC=CC=C2C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C25H23N3O6/c1-2-33-22(29)14-34-17-11-12-19(18-5-3-4-6-20(18)25(31)32)21(13-17)24(30)28-16-9-7-15(8-10-16)23(26)27/h3-13H,2,14H2,1H3,(H3,26,27)(H,28,30)(H,31,32)