(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: (7-methyl-2-oxo-chromen-4-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 (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-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 (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C29H29NO4 MolecularWeight: 455.54486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C4CC(CCC4=NC5=CC=CC=C53)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=C4CC(CCC4=NC5=CC=CC=C53)C(C)(C)C

InChI

InChI=1S/C29H29NO4/c1-17-9-11-20-18(14-26(31)34-25(20)13-17)16-33-28(32)27-21-7-5-6-8-23(21)30-24-12-10-19(15-22(24)27)29(2,3)4/h5-9,11,13-14,19H,10,12,15-16H2,1-4H3