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

Systemtic Name: 2-[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxidanylidene-chromen-7-yl]oxyethanoylamino]-3-methyl-pentanoate Openeye Name: 2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-chromen-7-yl]oxyacetyl]amino]-3-methyl-pentanoate CAS Name: 2-[[2-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]-3-methylpentanoate IUPAC Name: 2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-2-methyl-chromen-7-yl]oxyacetyl]amino]-3-methyl-valerate Formula: C27H28NO8- MolecularWeight: 494.51312

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)COC1=CC2=C(C=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCC(C)C(C(=O)[O-])NC(=O)COC1=CC2=C(C=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C27H29NO8/c1-4-15(2)25(27(31)32)28-23(29)14-35-18-7-8-19-21(13-18)36-16(3)24(26(19)30)17-6-9-20-22(12-17)34-11-5-10-33-20/h6-9,12-13,15,25H,4-5,10-11,14H2,1-3H3,(H,28,29)(H,31,32)/p-1