[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxidanylidene-chromen-7-yl] 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate

Systemtic Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxidanylidene-chromen-7-yl] 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate Openeye Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-chromen-7-yl] 6-(tert-butoxycarbonylamino)hexanoate CAS Name: 6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic 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] 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate Traditional Name: 6-(tert-butoxycarbonylamino)hexanoic acid [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-2-methyl-chromen-7-yl] ester Formula: C30H35NO8 MolecularWeight: 537.6008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)CCCCCNC(=O)OC(C)(C)C)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)CCCCCNC(=O)OC(C)(C)C)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C30H35NO8/c1-19-27(20-10-13-23-25(17-20)36-16-8-15-35-23)28(33)22-12-11-21(18-24(22)37-19)38-26(32)9-6-5-7-14-31-29(34)39-30(2,3)4/h10-13,17-18H,5-9,14-16H2,1-4H3,(H,31,34)