4-(3-carbamimidoylphenoxy)-3-[(4-pyrrolidin-1-ylphenyl)carbonylamino]butanoic acid

Systemtic Name: 4-(3-carbamimidoylphenoxy)-3-[(4-pyrrolidin-1-ylphenyl)carbonylamino]butanoic acid Openeye Name: 4-(3-carbamimidoylphenoxy)-3-[(4-pyrrolidin-1-ylbenzoyl)amino]butanoic acid CAS Name: 4-(3-carbamimidoylphenoxy)-3-[[oxo-[4-(1-pyrrolidinyl)phenyl]methyl]amino]butanoic acid IUPAC Name: 4-(3-carbamimidoylphenoxy)-3-[(4-pyrrolidin-1-ylbenzoyl)amino]butanoic acid Traditional Name: 4-(3-amidinophenoxy)-3-[(4-pyrrolidinobenzoyl)amino]butyric acid Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)C(=O)NC(CC(=O)O)COC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)C(=O)NC(CC(=O)O)COC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C22H26N4O4/c23-21(24)16-4-3-5-19(12-16)30-14-17(13-20(27)28)25-22(29)15-6-8-18(9-7-15)26-10-1-2-11-26/h3-9,12,17H,1-2,10-11,13-14H2,(H3,23,24)(H,25,29)(H,27,28)