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

Systemtic Name: [3-methyl-2-(2-methyl-4-oxidanylidene-pentan-2-yl)anthracen-1-yl] 1-ethanoylpyrrolidine-2-carboxylate Openeye Name: [2-(1,1-dimethyl-3-oxo-butyl)-3-methyl-1-anthryl] 1-acetylpyrrolidine-2-carboxylate CAS Name: 1-acetyl-2-pyrrolidinecarboxylic 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] 1-acetylpyrrolidine-2-carboxylate Traditional Name: 1-acetylpyrrolidine-2-carboxylic acid [2-(3-keto-1,1-dimethyl-butyl)-3-methyl-1-anthryl] ester Formula: C28H31NO4 MolecularWeight: 445.55004

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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)C4CCCN4C(=O)C

Isomeric SMILES

CC1=CC2=CC3=CC=CC=C3C=C2C(=C1C(C)(C)CC(=O)C)OC(=O)C4CCCN4C(=O)C

InChI

InChI=1S/C28H31NO4/c1-17-13-22-14-20-9-6-7-10-21(20)15-23(22)26(25(17)28(4,5)16-18(2)30)33-27(32)24-11-8-12-29(24)19(3)31/h6-7,9-10,13-15,24H,8,11-12,16H2,1-5H3