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

Systemtic Name: (8-chloranyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 4-(phenylmethoxycarbonylamino)butanoate Openeye Name: (8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 4-(benzyloxycarbonylamino)butanoate CAS Name: 4-(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) 4-(phenylmethoxycarbonylamino)butanoate Traditional Name: 4-(benzyloxycarbonylamino)butyric acid (8-chloro-4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) ester Formula: C24H22ClNO6 MolecularWeight: 455.88758

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C(=O)OC3=CC(=C(C=C23)Cl)OC(=O)CCCNC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CC2=C(C1)C(=O)OC3=CC(=C(C=C23)Cl)OC(=O)CCCNC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H22ClNO6/c25-19-12-18-16-8-4-9-17(16)23(28)32-20(18)13-21(19)31-22(27)10-5-11-26-24(29)30-14-15-6-2-1-3-7-15/h1-3,6-7,12-13H,4-5,8-11,14H2,(H,26,29)