3-(2-ethoxycarbonyl-6-oxidanylidene-6-pyrrol-1-yl-hexanoyl)-2,5-dihydro-1H-pyrrole-2-carboxylic acid

Systemtic Name: 3-(2-ethoxycarbonyl-6-oxidanylidene-6-pyrrol-1-yl-hexanoyl)-2,5-dihydro-1H-pyrrole-2-carboxylic acid Openeye Name: 3-(2-ethoxycarbonyl-6-oxo-6-pyrrol-1-yl-hexanoyl)-2,5-dihydro-1H-pyrrole-2-carboxylic acid CAS Name: 3-[2-ethoxycarbonyl-1,6-dioxo-6-(1-pyrrolyl)hexyl]-2,5-dihydro-1H-pyrrole-2-carboxylic acid IUPAC Name: 3-(2-ethoxycarbonyl-6-oxo-6-pyrrol-1-ylhexanoyl)-2,5-dihydro-1H-pyrrole-2-carboxylic acid Traditional Name: 3-(2-carbethoxy-6-keto-6-pyrrol-1-yl-hexanoyl)-3-pyrroline-2-carboxylic acid Formula: C18H22N2O6 MolecularWeight: 362.37708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCC(=O)N1C=CC=C1)C(=O)C2=CCNC2C(=O)O

Isomeric SMILES

CCOC(=O)C(CCCC(=O)N1C=CC=C1)C(=O)C2=CCNC2C(=O)O

InChI

InChI=1S/C18H22N2O6/c1-2-26-18(25)13(6-5-7-14(21)20-10-3-4-11-20)16(22)12-8-9-19-15(12)17(23)24/h3-4,8,10-11,13,15,19H,2,5-7,9H2,1H3,(H,23,24)