(6-chloranyl-2-oxidanylidene-4-propyl-chromen-7-yl) 2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: (6-chloranyl-2-oxidanylidene-4-propyl-chromen-7-yl) 2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: (6-chloro-2-oxo-4-propyl-chromen-7-yl) 2-(benzyloxycarbonylamino)pentanoate CAS Name: 2-(phenylmethoxycarbonylamino)pentanoic acid (6-chloro-2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-2-oxo-4-propylchromen-7-yl) 2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 2-(benzyloxycarbonylamino)valeric acid (6-chloro-2-keto-4-propyl-chromen-7-yl) ester Formula: C25H26ClNO6 MolecularWeight: 471.93004

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(CCC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)C(CCC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H26ClNO6/c1-3-8-17-12-23(28)32-21-14-22(19(26)13-18(17)21)33-24(29)20(9-4-2)27-25(30)31-15-16-10-6-5-7-11-16/h5-7,10-14,20H,3-4,8-9,15H2,1-2H3,(H,27,30)