(3,3-dimethyl-2-oxidanylidene-butyl) (4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) (4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) (4Z)-4-(2-furylmethylene)-2,3-dihydro-1H-acridine-9-carboxylate CAS Name: (4Z)-4-(2-furanylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) (4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate Traditional Name: (4Z)-4-(2-furfurylidene)-2,3-dihydro-1H-acridine-9-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C25H25NO4 MolecularWeight: 403.4703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=C2CCCC(=CC3=CC=CO3)C2=NC4=CC=CC=C41

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=C2CCC/C(=C/C3=CC=CO3)/C2=NC4=CC=CC=C41

InChI

InChI=1S/C25H25NO4/c1-25(2,3)21(27)15-30-24(28)22-18-10-4-5-12-20(18)26-23-16(8-6-11-19(22)23)14-17-9-7-13-29-17/h4-5,7,9-10,12-14H,6,8,11,15H2,1-3H3/b16-14-