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

Systemtic Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxidanylidene-chromen-7-yl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate Openeye Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-chromen-7-yl] 2-(tert-butoxycarbonylamino)-3-phenyl-propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic 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] 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-phenyl-propionic 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(CC3=CC=CC=C3)NC(=O)OC(C)(C)C)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C33H33NO8/c1-20-29(22-11-14-26-28(18-22)39-16-8-15-38-26)30(35)24-13-12-23(19-27(24)40-20)41-31(36)25(17-21-9-6-5-7-10-21)34-32(37)42-33(2,3)4/h5-7,9-14,18-19,25H,8,15-17H2,1-4H3,(H,34,37)