(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C32H29NO4 MolecularWeight: 491.57696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC4=CC(=O)OC5=C4C6=CC=CC=C6C=C5

Isomeric SMILES

CC(C)(C)C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC4=CC(=O)OC5=C4C6=CC=CC=C6C=C5

InChI

InChI=1S/C32H29NO4/c1-32(2,3)21-13-14-26-24(17-21)30(23-10-6-7-11-25(23)33-26)31(35)36-18-20-16-28(34)37-27-15-12-19-8-4-5-9-22(19)29(20)27/h4-12,15-16,21H,13-14,17-18H2,1-3H3