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

Systemtic Name: 3-[4-[4-(4-carbamimidoylphenyl)-3-ethoxy-5-oxidanylidene-2H-pyrrol-1-yl]phenyl]propanoic acid Openeye Name: 3-[4-[4-(4-carbamimidoylphenyl)-3-ethoxy-5-oxo-2H-pyrrol-1-yl]phenyl]propanoic acid CAS Name: 3-[4-[4-(4-carbamimidoylphenyl)-3-ethoxy-5-oxo-2H-pyrrol-1-yl]phenyl]propanoic acid IUPAC Name: 3-[4-[4-(4-carbamimidoylphenyl)-3-ethoxy-5-oxo-2H-pyrrol-1-yl]phenyl]propanoic acid Traditional Name: 3-[4-[3-(4-amidinophenyl)-4-ethoxy-2-keto-3-pyrrolin-1-yl]phenyl]propionic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=O)N(C1)C2=CC=C(C=C2)CCC(=O)O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC1=C(C(=O)N(C1)C2=CC=C(C=C2)CCC(=O)O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H23N3O4/c1-2-29-18-13-25(17-10-3-14(4-11-17)5-12-19(26)27)22(28)20(18)15-6-8-16(9-7-15)21(23)24/h3-4,6-11H,2,5,12-13H2,1H3,(H3,23,24)(H,26,27)