2-[4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]phenyl]carbonylbenzoic acid

Systemtic Name: 2-[4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]phenyl]carbonylbenzoic acid Openeye Name: 2-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]benzoyl]benzoic acid CAS Name: 2-[[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]phenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]benzoyl]benzoic acid Traditional Name: 2-[4-[3-(4-amidinoanilino)prop-1-ynyl]benzoyl]benzoic acid Formula: C24H19N3O3 MolecularWeight: 397.42596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)C#CCNC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)C#CCNC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C24H19N3O3/c25-23(26)18-11-13-19(14-12-18)27-15-3-4-16-7-9-17(10-8-16)22(28)20-5-1-2-6-21(20)24(29)30/h1-2,5-14,27H,15H2,(H3,25,26)(H,29,30)