[3-(4-chloranylphenoxy)-2-methyl-4-oxidanylidene-chromen-7-yl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [3-(4-chloranylphenoxy)-2-methyl-4-oxidanylidene-chromen-7-yl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [3-(4-chlorophenoxy)-2-methyl-4-oxo-chromen-7-yl] 2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [3-(4-chlorophenoxy)-2-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-chlorophenoxy)-2-methyl-4-oxochromen-7-yl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-butyric acid [3-(4-chlorophenoxy)-4-keto-2-methyl-chromen-7-yl] ester Formula: C29H26ClNO7 MolecularWeight: 535.97224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3)OC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C29H26ClNO7/c1-17(2)25(31-29(34)35-16-19-7-5-4-6-8-19)28(33)38-22-13-14-23-24(15-22)36-18(3)27(26(23)32)37-21-11-9-20(30)10-12-21/h4-15,17,25H,16H2,1-3H3,(H,31,34)