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

Systemtic Name: (8-chloranyl-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (8-chloro-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) 2-(benzyloxycarbonylamino)butanoate CAS Name: 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) 2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(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:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22ClNO6/c1-2-19(26-24(29)30-13-14-7-4-3-5-8-14)23(28)32-21-12-20-17(11-18(21)25)15-9-6-10-16(15)22(27)31-20/h3-5,7-8,11-12,19H,2,6,9-10,13H2,1H3,(H,26,29)