2-[(4-cyanophenyl)amino]-2-[5-ethyl-3-(2-methylpropyl)-2-oxidanyl-phenyl]ethanoic acid

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[5-ethyl-3-(2-methylpropyl)-2-oxidanyl-phenyl]ethanoic acid Openeye Name: 2-(4-cyanoanilino)-2-(5-ethyl-2-hydroxy-3-isobutyl-phenyl)acetic acid CAS Name: 2-(4-cyanoanilino)-2-[5-ethyl-2-hydroxy-3-(2-methylpropyl)phenyl]acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-[5-ethyl-2-hydroxy-3-(2-methylpropyl)phenyl]acetic acid Traditional Name: 2-(4-cyanoanilino)-2-(5-ethyl-2-hydroxy-3-isobutyl-phenyl)acetic acid Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)O)CC(C)C

Isomeric SMILES

CCC1=CC(=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)O)CC(C)C

InChI

InChI=1S/C21H24N2O3/c1-4-14-10-16(9-13(2)3)20(24)18(11-14)19(21(25)26)23-17-7-5-15(12-22)6-8-17/h5-8,10-11,13,19,23-24H,4,9H2,1-3H3,(H,25,26)