[(2S)-1-[(2-bromanyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)ethanoate

Systemtic Name: [(2S)-1-[(2-bromanyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)ethanoate Openeye Name: [(1S)-2-(2-bromo-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 2-indan-5-ylacetate CAS Name: 2-(2,3-dihydro-1H-inden-5-yl)acetic acid [(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate Traditional Name: 2-indan-5-ylacetic acid [(1S)-2-(2-bromo-4-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22BrNO3 MolecularWeight: 416.30828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)OC(=O)CC2=CC3=C(CCC3)C=C2)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)OC(=O)CC2=CC3=C(CCC3)C=C2)Br

InChI

InChI=1S/C21H22BrNO3/c1-13-6-9-19(18(22)10-13)23-21(25)14(2)26-20(24)12-15-7-8-16-4-3-5-17(16)11-15/h6-11,14H,3-5,12H2,1-2H3,(H,23,25)/t14-/m0/s1