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

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxidanylidene-chromen-7-yl] 2-(phenylmethoxycarbonylamino)propanoate Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxo-chromen-7-yl] 2-(benzyloxycarbonylamino)propanoate CAS Name: 2-(phenylmethoxycarbonylamino)propanoic 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] 2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)propionic acid [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-2-methyl-chromen-7-yl] ester Formula: C29H25NO8 MolecularWeight: 515.5107

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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)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)NC(=O)OCC3=CC=CC=C3)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C29H25NO8/c1-17(30-29(33)36-16-19-6-4-3-5-7-19)28(32)38-21-9-10-22-24(15-21)37-18(2)26(27(22)31)20-8-11-23-25(14-20)35-13-12-34-23/h3-11,14-15,17H,12-13,16H2,1-2H3,(H,30,33)