2-methyl-4-[[4-(3-methylbutoxy)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid

Systemtic Name: 2-methyl-4-[[4-(3-methylbutoxy)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid Openeye Name: 4-[(4-isopentyloxyphenyl)methylene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid CAS Name: 2-methyl-4-[[4-(3-methylbutoxy)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid IUPAC Name: 2-methyl-4-[[4-(3-methylbutoxy)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid Traditional Name: 4-(4-isoamoxybenzylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid Formula: C27H29NO3 MolecularWeight: 415.52406

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC2=CC=C(C=C2)OCCC(C)C)C3=NC4=CC=CC=C4C(=C3C1)C(=O)O

Isomeric SMILES

CC1CC(=CC2=CC=C(C=C2)OCCC(C)C)C3=NC4=CC=CC=C4C(=C3C1)C(=O)O

InChI

InChI=1S/C27H29NO3/c1-17(2)12-13-31-21-10-8-19(9-11-21)16-20-14-18(3)15-23-25(27(29)30)22-6-4-5-7-24(22)28-26(20)23/h4-11,16-18H,12-15H2,1-3H3,(H,29,30)