[3-methyl-2-(2-methyl-4-oxidanylidene-pentan-2-yl)anthracen-1-yl] 2-acetamidopropanoate

Systemtic Name: [3-methyl-2-(2-methyl-4-oxidanylidene-pentan-2-yl)anthracen-1-yl] 2-acetamidopropanoate Openeye Name: [2-(1,1-dimethyl-3-oxo-butyl)-3-methyl-1-anthryl] 2-acetamidopropanoate CAS Name: 2-acetamidopropanoic acid [3-methyl-2-(2-methyl-4-oxopentan-2-yl)-1-anthracenyl] ester IUPAC Name: [3-methyl-2-(2-methyl-4-oxopentan-2-yl)anthracen-1-yl] 2-acetamidopropanoate Traditional Name: 2-acetamidopropionic acid [2-(3-keto-1,1-dimethyl-butyl)-3-methyl-1-anthryl] ester Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC3=CC=CC=C3C=C2C(=C1C(C)(C)CC(=O)C)OC(=O)C(C)NC(=O)C

Isomeric SMILES

CC1=CC2=CC3=CC=CC=C3C=C2C(=C1C(C)(C)CC(=O)C)OC(=O)C(C)NC(=O)C

InChI

InChI=1S/C26H29NO4/c1-15-11-21-12-19-9-7-8-10-20(19)13-22(21)24(23(15)26(5,6)14-16(2)28)31-25(30)17(3)27-18(4)29/h7-13,17H,14H2,1-6H3,(H,27,29)