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

Systemtic Name: 4-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid Openeye Name: 4-[(4-isopentyloxy-3-methoxy-phenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylic acid CAS Name: 4-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid IUPAC Name: 4-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid Traditional Name: 4-(4-isoamoxy-3-methoxy-benzylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid Formula: C27H29NO4 MolecularWeight: 431.52346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C=C2CCCC3=C(C4=CC=CC=C4N=C23)C(=O)O)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C=C2CCCC3=C(C4=CC=CC=C4N=C23)C(=O)O)OC

InChI

InChI=1S/C27H29NO4/c1-17(2)13-14-32-23-12-11-18(16-24(23)31-3)15-19-7-6-9-21-25(27(29)30)20-8-4-5-10-22(20)28-26(19)21/h4-5,8,10-12,15-17H,6-7,9,13-14H2,1-3H3,(H,29,30)