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

Systemtic Name: 2-[2-[5-(2-chlorophenyl)-1H-pyrrol-2-yl]-2-oxidanylidene-ethyl]pent-4-ynoic acid Openeye Name: 2-[2-[5-(2-chlorophenyl)-1H-pyrrol-2-yl]-2-oxo-ethyl]pent-4-ynoic acid CAS Name: 2-[2-[5-(2-chlorophenyl)-1H-pyrrol-2-yl]-2-oxoethyl]-4-pentynoic acid IUPAC Name: 2-[2-[5-(2-chlorophenyl)-1H-pyrrol-2-yl]-2-oxoethyl]pent-4-ynoic acid Traditional Name: 2-[2-[5-(2-chlorophenyl)-1H-pyrrol-2-yl]-2-keto-ethyl]pent-4-ynoic acid Formula: C17H14ClNO3 MolecularWeight: 315.75096

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC(CC(=O)C1=CC=C(N1)C2=CC=CC=C2Cl)C(=O)O

Isomeric SMILES

C#CCC(CC(=O)C1=CC=C(N1)C2=CC=CC=C2Cl)C(=O)O

InChI

InChI=1S/C17H14ClNO3/c1-2-5-11(17(21)22)10-16(20)15-9-8-14(19-15)12-6-3-4-7-13(12)18/h1,3-4,6-9,11,19H,5,10H2,(H,21,22)