(7-chloranyl-6-methyl-2-oxidanylidene-chromen-4-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (7-chloranyl-6-methyl-2-oxidanylidene-chromen-4-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (7-chloro-6-methyl-2-oxo-chromen-4-yl) 2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid (7-chloro-6-methyl-2-oxo-1-benzopyran-4-yl) ester IUPAC Name: (7-chloro-6-methyl-2-oxochromen-4-yl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-butyric acid (7-chloro-2-keto-6-methyl-chromen-4-yl) ester Formula: C23H22ClNO6 MolecularWeight: 443.87688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)OC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)OC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3)Cl

InChI

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