2-[5-[(Z)-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]benzoic acid

Systemtic Name: 2-[5-[(Z)-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]benzoic acid Openeye Name: 2-[5-[(Z)-(3-ethyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]benzoic acid CAS Name: 2-[5-[(Z)-(3-ethyl-4-methyl-5-oxo-2-pyrrolylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]benzoic acid IUPAC Name: 2-[5-[(Z)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]benzoic acid Traditional Name: 2-[5-[(Z)-(3-ethyl-5-keto-4-methyl-3-pyrrolin-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]benzoic acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)NC1=CC2=C(C(=C(N2)C)C3=CC=CC=C3C(=O)O)C)C

Isomeric SMILES

CCC\1=C(C(=O)N/C1=C\C2=C(C(=C(N2)C)C3=CC=CC=C3C(=O)O)C)C

InChI

InChI=1S/C21H22N2O3/c1-5-14-11(2)20(24)23-18(14)10-17-12(3)19(13(4)22-17)15-8-6-7-9-16(15)21(25)26/h6-10,22H,5H2,1-4H3,(H,23,24)(H,25,26)/b18-10-