2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-(3-methoxy-3-oxidanylidene-propyl)phenyl]benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-(3-methoxy-3-oxidanylidene-propyl)phenyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-(3-methoxy-3-oxo-propyl)phenyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-(3-methoxy-3-oxopropyl)phenyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-(3-methoxy-3-oxopropyl)phenyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-4-(3-keto-3-methoxy-propyl)phenyl]benzoic acid Formula: C25H23N3O5 MolecularWeight: 445.46722

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC(=C(C=C1)C2=CC=CC=C2C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCC1=CC(=C(C=C1)C2=CC=CC=C2C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C25H23N3O5/c1-33-22(29)13-7-15-6-12-19(18-4-2-3-5-20(18)25(31)32)21(14-15)24(30)28-17-10-8-16(9-11-17)23(26)27/h2-6,8-12,14H,7,13H2,1H3,(H3,26,27)(H,28,30)(H,31,32)