[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxidanylidene-chromen-7-yl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxidanylidene-chromen-7-yl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-chromen-7-yl] 2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxochromen-7-yl] 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-butyric acid [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-2-methyl-chromen-7-yl] ester Formula: C31H29NO8 MolecularWeight: 543.56386

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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)C4=CC5=C(C=C4)OCCO5

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)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C31H29NO8/c1-18(2)28(32-31(35)38-17-20-7-5-4-6-8-20)30(34)40-22-10-11-23-25(16-22)39-19(3)27(29(23)33)21-9-12-24-26(15-21)37-14-13-36-24/h4-12,15-16,18,28H,13-14,17H2,1-3H3,(H,32,35)