(8-chloranyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (8-chloranyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid (8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl) ester IUPAC Name: (8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-butyric acid (8-chloro-4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) ester Formula: C25H24ClNO6 MolecularWeight: 469.91416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=C(C=C2C3=C(CCC3)C(=O)OC2=C1)Cl)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)C(C(=O)OC1=C(C=C2C3=C(CCC3)C(=O)OC2=C1)Cl)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H24ClNO6/c1-14(2)22(27-25(30)31-13-15-7-4-3-5-8-15)24(29)33-21-12-20-18(11-19(21)26)16-9-6-10-17(16)23(28)32-20/h3-5,7-8,11-12,14,22H,6,9-10,13H2,1-2H3,(H,27,30)