(3-chloranyl-4-methyl-2-oxidanylidene-chromen-7-yl) 2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: (3-chloranyl-4-methyl-2-oxidanylidene-chromen-7-yl) 2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: (3-chloro-4-methyl-2-oxo-chromen-7-yl) 2-(benzyloxycarbonylamino)pentanoate CAS Name: 2-(phenylmethoxycarbonylamino)pentanoic acid (3-chloro-4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (3-chloro-4-methyl-2-oxochromen-7-yl) 2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 2-(benzyloxycarbonylamino)valeric acid (3-chloro-2-keto-4-methyl-chromen-7-yl) ester Formula: C23H22ClNO6 MolecularWeight: 443.87688

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCC(C(=O)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H22ClNO6/c1-3-7-18(25-23(28)29-13-15-8-5-4-6-9-15)21(26)30-16-10-11-17-14(2)20(24)22(27)31-19(17)12-16/h4-6,8-12,18H,3,7,13H2,1-2H3,(H,25,28)