(2-oxidanylidenechromen-7-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (2-oxidanylidenechromen-7-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (2-oxochromen-7-yl) 2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid (2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (2-oxochromen-7-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-butyric acid (2-ketochromen-7-yl) ester Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO6/c1-14(2)20(23-22(26)27-13-15-6-4-3-5-7-15)21(25)28-17-10-8-16-9-11-19(24)29-18(16)12-17/h3-12,14,20H,13H2,1-2H3,(H,23,26)