(E)-4-[1-(3-benzamidopropyl)pyrrol-3-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid

Systemtic Name: (E)-4-[1-(3-benzamidopropyl)pyrrol-3-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-[1-(3-benzamidopropyl)pyrrol-3-yl]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-[1-(3-benzamidopropyl)-3-pyrrolyl]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-4-[1-(3-benzamidopropyl)pyrrol-3-yl]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-[1-(3-benzamidopropyl)pyrrol-3-yl]-4-hydroxy-2-keto-but-3-enoic acid Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCCCN2C=CC(=C2)C(=CC(=O)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCCCN2C=CC(=C2)/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C18H18N2O5/c21-15(11-16(22)18(24)25)14-7-10-20(12-14)9-4-8-19-17(23)13-5-2-1-3-6-13/h1-3,5-7,10-12,21H,4,8-9H2,(H,19,23)(H,24,25)/b15-11+