[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxidanylidene-chromen-7-yl] 4-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxidanylidene-chromen-7-yl] 4-(phenylmethoxycarbonylamino)butanoate Openeye Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-chromen-7-yl] 4-(benzyloxycarbonylamino)butanoate CAS Name: 4-(phenylmethoxycarbonylamino)butanoic acid [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl] 4-(phenylmethoxycarbonylamino)butanoate Traditional Name: 4-(benzyloxycarbonylamino)butyric acid [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-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)CCCNC(=O)OCC3=CC=CC=C3)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)CCCNC(=O)OCC3=CC=CC=C3)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C31H29NO8/c1-20-29(22-10-13-25-27(17-22)37-16-6-15-36-25)30(34)24-12-11-23(18-26(24)39-20)40-28(33)9-5-14-32-31(35)38-19-21-7-3-2-4-8-21/h2-4,7-8,10-13,17-18H,5-6,9,14-16,19H2,1H3,(H,32,35)