2-[2-[5-(2-methylphenyl)-1H-pyrrol-2-yl]-2-oxidanylidene-ethyl]pent-4-ynoic acid

Systemtic Name: 2-[2-[5-(2-methylphenyl)-1H-pyrrol-2-yl]-2-oxidanylidene-ethyl]pent-4-ynoic acid Openeye Name: 2-[2-[5-(o-tolyl)-1H-pyrrol-2-yl]-2-oxo-ethyl]pent-4-ynoic acid CAS Name: 2-[2-[5-(2-methylphenyl)-1H-pyrrol-2-yl]-2-oxoethyl]-4-pentynoic acid IUPAC Name: 2-[2-[5-(2-methylphenyl)-1H-pyrrol-2-yl]-2-oxoethyl]pent-4-ynoic acid Traditional Name: 2-[2-keto-2-[5-(o-tolyl)-1H-pyrrol-2-yl]ethyl]pent-4-ynoic acid Formula: C18H17NO3 MolecularWeight: 295.33248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC=C(N2)C(=O)CC(CC#C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=CC=C(N2)C(=O)CC(CC#C)C(=O)O

InChI

InChI=1S/C18H17NO3/c1-3-6-13(18(21)22)11-17(20)16-10-9-15(19-16)14-8-5-4-7-12(14)2/h1,4-5,7-10,13,19H,6,11H2,2H3,(H,21,22)