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

Systemtic Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxidanylidene-chromen-7-yl] 4-methyl-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-chromen-7-yl] 2-(benzyloxycarbonylamino)-4-methyl-pentanoate CAS Name: 4-methyl-2-(phenylmethoxycarbonylamino)pentanoic 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-methyl-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-methyl-valeric acid [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-2-methyl-chromen-7-yl] ester Formula: C33H33NO8 MolecularWeight: 571.61702

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H33NO8/c1-20(2)16-26(34-33(37)40-19-22-8-5-4-6-9-22)32(36)42-24-11-12-25-28(18-24)41-21(3)30(31(25)35)23-10-13-27-29(17-23)39-15-7-14-38-27/h4-6,8-13,17-18,20,26H,7,14-16,19H2,1-3H3,(H,34,37)