(7-fluoranyl-1-methyl-3-oxidanylidene-1,2-dihydroinden-4-yl) (2S)-2-[(4-chlorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (7-fluoranyl-1-methyl-3-oxidanylidene-1,2-dihydroinden-4-yl) (2S)-2-[(4-chlorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (7-fluoro-1-methyl-3-oxo-indan-4-yl) (2S)-2-[(4-chlorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid (7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl) ester IUPAC Name: (7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl) (2S)-2-[(4-chlorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-chlorobenzoyl)amino]-3-methyl-butyric acid (7-fluoro-3-keto-1-methyl-indan-4-yl) ester Formula: C22H21ClFNO4 MolecularWeight: 417.857843

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C=CC(=C12)F)OC(=O)C(C(C)C)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1CC(=O)C2=C(C=CC(=C12)F)OC(=O)[C@H](C(C)C)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H21ClFNO4/c1-11(2)20(25-21(27)13-4-6-14(23)7-5-13)22(28)29-17-9-8-15(24)18-12(3)10-16(26)19(17)18/h4-9,11-12,20H,10H2,1-3H3,(H,25,27)/t12?,20-/m0/s1