tert-butyl (3S)-3-(3,5-dimethylphenyl)-2-oxidanylidene-3-(3-oxidanylidenebutyl)indole-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-(3,5-dimethylphenyl)-2-oxidanylidene-3-(3-oxidanylidenebutyl)indole-1-carboxylate Openeye Name: tert-butyl (3S)-3-(3,5-dimethylphenyl)-2-oxo-3-(3-oxobutyl)indoline-1-carboxylate CAS Name: (3S)-3-(3,5-dimethylphenyl)-2-oxo-3-(3-oxobutyl)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(3,5-dimethylphenyl)-2-oxo-3-(3-oxobutyl)indole-1-carboxylate Traditional Name: (3S)-3-(3,5-dimethylphenyl)-2-keto-3-(3-ketobutyl)indoline-1-carboxylic acid tert-butyl ester Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2(C3=CC=CC=C3N(C2=O)C(=O)OC(C)(C)C)CCC(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)[C@]2(C3=CC=CC=C3N(C2=O)C(=O)OC(C)(C)C)CCC(=O)C)C

InChI

InChI=1S/C25H29NO4/c1-16-13-17(2)15-19(14-16)25(12-11-18(3)27)20-9-7-8-10-21(20)26(22(25)28)23(29)30-24(4,5)6/h7-10,13-15H,11-12H2,1-6H3/t25-/m0/s1