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

Systemtic Name: [3-methyl-2-(2-methyl-4-oxidanylidene-pentan-2-yl)anthracen-1-yl] 2-acetamido-2-methyl-propanoate Openeye Name: [2-(1,1-dimethyl-3-oxo-butyl)-3-methyl-1-anthryl] 2-acetamido-2-methyl-propanoate CAS Name: 2-acetamido-2-methylpropanoic 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-acetamido-2-methylpropanoate Traditional Name: 2-acetamido-2-methyl-propionic acid [2-(3-keto-1,1-dimethyl-butyl)-3-methyl-1-anthryl] ester Formula: C27H31NO4 MolecularWeight: 433.53934

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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)(C)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO4/c1-16-12-21-13-19-10-8-9-11-20(19)14-22(21)24(23(16)26(4,5)15-17(2)29)32-25(31)27(6,7)28-18(3)30/h8-14H,15H2,1-7H3,(H,28,30)