2-[4-[3-[(4Z)-4-(1,2-dihydropyrazol-3-ylidene)-6-ethyl-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]oxypropoxy]phenyl]ethanoic acid

Systemtic Name: 2-[4-[3-[(4Z)-4-(1,2-dihydropyrazol-3-ylidene)-6-ethyl-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]oxypropoxy]phenyl]ethanoic acid Openeye Name: 2-[4-[3-[(4Z)-4-(1,2-dihydropyrazol-3-ylidene)-6-ethyl-3-oxo-cyclohexa-1,5-dien-1-yl]oxypropoxy]phenyl]acetic acid CAS Name: 2-[4-[3-[[(4Z)-4-(1,2-dihydropyrazol-3-ylidene)-6-ethyl-3-oxo-1-cyclohexa-1,5-dienyl]oxy]propoxy]phenyl]acetic acid IUPAC Name: 2-[4-[3-[(4Z)-4-(1,2-dihydropyrazol-3-ylidene)-6-ethyl-3-oxocyclohexa-1,5-dien-1-yl]oxypropoxy]phenyl]acetic acid Traditional Name: 2-[4-[3-[(4Z)-6-ethyl-3-keto-4-(3-pyrazolin-3-ylidene)cyclohexa-1,5-dien-1-yl]oxypropoxy]phenyl]acetic acid Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C=CNN2)C(=O)C=C1OCCCOC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

CCC1=C/C(=C/2\C=CNN2)/C(=O)C=C1OCCCOC3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C22H24N2O5/c1-2-16-13-18(19-8-9-23-24-19)20(25)14-21(16)29-11-3-10-28-17-6-4-15(5-7-17)12-22(26)27/h4-9,13-14,23-24H,2-3,10-12H2,1H3,(H,26,27)/b19-18-