4-[(2E)-2-(3-tert-butyl-4-pyrrolidin-1-yl-phenyl)-2-hydroxyimino-ethoxy]benzoic acid

Systemtic Name: 4-[(2E)-2-(3-tert-butyl-4-pyrrolidin-1-yl-phenyl)-2-hydroxyimino-ethoxy]benzoic acid Openeye Name: 4-[(2E)-2-(3-tert-butyl-4-pyrrolidin-1-yl-phenyl)-2-hydroxyimino-ethoxy]benzoic acid CAS Name: 4-[(2E)-2-[3-tert-butyl-4-(1-pyrrolidinyl)phenyl]-2-hydroxyiminoethoxy]benzoic acid IUPAC Name: 4-[(2E)-2-(3-tert-butyl-4-pyrrolidin-1-ylphenyl)-2-hydroxyiminoethoxy]benzoic acid Traditional Name: 4-[(2E)-2-(3-tert-butyl-4-pyrrolidino-phenyl)-2-hydroximino-ethoxy]benzoic acid Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)C(=NO)COC2=CC=C(C=C2)C(=O)O)N3CCCC3

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)/C(=N\O)/COC2=CC=C(C=C2)C(=O)O)N3CCCC3

InChI

InChI=1S/C23H28N2O4/c1-23(2,3)19-14-17(8-11-21(19)25-12-4-5-13-25)20(24-28)15-29-18-9-6-16(7-10-18)22(26)27/h6-11,14,28H,4-5,12-13,15H2,1-3H3,(H,26,27)/b24-20-