8-[2,5-bis(oxidanylidene)-3,4-diphenyl-pyrrol-1-yl]undecanoic acid

Systemtic Name: 8-[2,5-bis(oxidanylidene)-3,4-diphenyl-pyrrol-1-yl]undecanoic acid Openeye Name: 8-(2,5-dioxo-3,4-diphenyl-pyrrol-1-yl)undecanoic acid CAS Name: 8-(2,5-dioxo-3,4-diphenyl-1-pyrrolyl)undecanoic acid IUPAC Name: 8-(2,5-dioxo-3,4-diphenylpyrrol-1-yl)undecanoic acid Traditional Name: 8-(2,5-diketo-3,4-diphenyl-3-pyrrolin-1-yl)undecanoic acid Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCCCCC(=O)O)N1C(=O)C(=C(C1=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCC(CCCCCCC(=O)O)N1C(=O)C(=C(C1=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H31NO4/c1-2-13-22(18-11-3-4-12-19-23(29)30)28-26(31)24(20-14-7-5-8-15-20)25(27(28)32)21-16-9-6-10-17-21/h5-10,14-17,22H,2-4,11-13,18-19H2,1H3,(H,29,30)