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

Systemtic Name: 4-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid Openeye Name: 4-[(4-isopentyloxy-3-methoxy-phenyl)methylene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid CAS Name: 4-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid IUPAC Name: 4-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid Traditional Name: 4-(4-isoamoxy-3-methoxy-benzylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylic acid Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31NO4/c1-17(2)11-12-33-24-10-9-19(16-25(24)32-4)15-20-13-18(3)14-22-26(28(30)31)21-7-5-6-8-23(21)29-27(20)22/h5-10,15-18H,11-14H2,1-4H3,(H,30,31)