(2S)-2-[2-[3-(4-chlorophenyl)-5,9-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl]ethanoylamino]hexanoate

Systemtic Name: (2S)-2-[2-[3-(4-chlorophenyl)-5,9-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl]ethanoylamino]hexanoate Openeye Name: (2S)-2-[[2-[3-(4-chlorophenyl)-5,9-dimethyl-7-oxo-furo[3,2-g]chromen-6-yl]acetyl]amino]hexanoate CAS Name: (2S)-2-[[2-[3-(4-chlorophenyl)-5,9-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl]-1-oxoethyl]amino]hexanoate IUPAC Name: (2S)-2-[[2-[3-(4-chlorophenyl)-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl]acetyl]amino]hexanoate Traditional Name: (2S)-2-[[2-[3-(4-chlorophenyl)-7-keto-5,9-dimethyl-furo[3,2-g]chromen-6-yl]acetyl]amino]hexanoate Formula: C27H25ClNO6- MolecularWeight: 494.9435

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)[O-])NC(=O)CC1=C(C2=C(C(=C3C(=C2)C(=CO3)C4=CC=C(C=C4)Cl)C)OC1=O)C

Isomeric SMILES

CCCC[C@@H](C(=O)[O-])NC(=O)CC1=C(C2=C(C(=C3C(=C2)C(=CO3)C4=CC=C(C=C4)Cl)C)OC1=O)C

InChI

InChI=1S/C27H26ClNO6/c1-4-5-6-22(26(31)32)29-23(30)12-19-14(2)18-11-20-21(16-7-9-17(28)10-8-16)13-34-24(20)15(3)25(18)35-27(19)33/h7-11,13,22H,4-6,12H2,1-3H3,(H,29,30)(H,31,32)/p-1/t22-/m0/s1