2-[[5-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-2-pyrrolidin-1-ylcarbonyl-phenyl]methoxy]ethanoic acid

Systemtic Name: 2-[[5-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-2-pyrrolidin-1-ylcarbonyl-phenyl]methoxy]ethanoic acid Openeye Name: 2-[[5-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-(pyrrolidine-1-carbonyl)phenyl]methoxy]acetic acid CAS Name: 2-[[5-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-[oxo(1-pyrrolidinyl)methyl]phenyl]methoxy]acetic acid IUPAC Name: 2-[[5-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-(pyrrolidine-1-carbonyl)phenyl]methoxy]acetic acid Traditional Name: 2-[5-[3-(4-amidinoanilino)prop-1-ynyl]-2-(pyrrolidine-1-carbonyl)benzyl]oxyacetic acid Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=C(C=C(C=C2)C#CCNC3=CC=C(C=C3)C(=N)N)COCC(=O)O

Isomeric SMILES

C1CCN(C1)C(=O)C2=C(C=C(C=C2)C#CCNC3=CC=C(C=C3)C(=N)N)COCC(=O)O

InChI

InChI=1S/C24H26N4O4/c25-23(26)18-6-8-20(9-7-18)27-11-3-4-17-5-10-21(24(31)28-12-1-2-13-28)19(14-17)15-32-16-22(29)30/h5-10,14,27H,1-2,11-13,15-16H2,(H3,25,26)(H,29,30)