3-[4-[4-(4-carbamimidoylphenyl)-5-oxidanylidene-3-propan-2-yloxy-2H-pyrrol-1-yl]phenyl]propanoic acid hydrochloride

Systemtic Name: 3-[4-[4-(4-carbamimidoylphenyl)-5-oxidanylidene-3-propan-2-yloxy-2H-pyrrol-1-yl]phenyl]propanoic acid hydrochloride Openeye Name: 3-[4-[4-(4-carbamimidoylphenyl)-3-isopropoxy-5-oxo-2H-pyrrol-1-yl]phenyl]propanoic acid hydrochloride CAS Name: 3-[4-[4-(4-carbamimidoylphenyl)-5-oxo-3-propan-2-yloxy-2H-pyrrol-1-yl]phenyl]propanoic acid hydrochloride IUPAC Name: 3-[4-[4-(4-carbamimidoylphenyl)-5-oxo-3-propan-2-yloxy-2H-pyrrol-1-yl]phenyl]propanoic acid hydrochloride Traditional Name: 3-[4-[3-(4-amidinophenyl)-4-isopropoxy-2-keto-3-pyrrolin-1-yl]phenyl]propionic acid hydrochloride Formula: C23H26ClN3O4 MolecularWeight: 443.92324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C(=O)N(C1)C2=CC=C(C=C2)CCC(=O)O)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

CC(C)OC1=C(C(=O)N(C1)C2=CC=C(C=C2)CCC(=O)O)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C23H25N3O4.ClH/c1-14(2)30-19-13-26(18-10-3-15(4-11-18)5-12-20(27)28)23(29)21(19)16-6-8-17(9-7-16)22(24)25;/h3-4,6-11,14H,5,12-13H2,1-2H3,(H3,24,25)(H,27,28);1H