3-[1-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethanoyl]piperidin-4-yl]benzoic acid

Systemtic Name: 3-[1-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethanoyl]piperidin-4-yl]benzoic acid Openeye Name: 3-[1-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)-2-oxo-acetyl]-4-piperidyl]benzoic acid CAS Name: 3-[1-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)-1,2-dioxoethyl]-4-piperidinyl]benzoic acid IUPAC Name: 3-[1-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)-2-oxoacetyl]piperidin-4-yl]benzoic acid Traditional Name: 3-[1-[2-keto-2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)acetyl]-4-piperidyl]benzoic acid Formula: C25H24N2O4 MolecularWeight: 416.46906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1)C2=CC=CC=C2)C(=O)C(=O)N3CCC(CC3)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC1=C(C=C(N1)C2=CC=CC=C2)C(=O)C(=O)N3CCC(CC3)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C25H24N2O4/c1-16-21(15-22(26-16)18-6-3-2-4-7-18)23(28)24(29)27-12-10-17(11-13-27)19-8-5-9-20(14-19)25(30)31/h2-9,14-15,17,26H,10-13H2,1H3,(H,30,31)