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

Systemtic Name: 2-[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxidanylidene-chromen-7-yl]oxyethanoylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-chromen-7-yl]oxyacetyl]amino]-4-methyl-pentanoic acid 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]-4-methylpentanoic acid IUPAC Name: 2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl]oxyacetyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-2-methyl-chromen-7-yl]oxyacetyl]amino]-4-methyl-valeric acid Formula: C27H29NO8 MolecularWeight: 495.52106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)NC(CC(C)C)C(=O)O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OCC(=O)NC(CC(C)C)C(=O)O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C27H29NO8/c1-15(2)11-20(27(31)32)28-24(29)14-35-18-6-7-19-22(13-18)36-16(3)25(26(19)30)17-5-8-21-23(12-17)34-10-4-9-33-21/h5-8,12-13,15,20H,4,9-11,14H2,1-3H3,(H,28,29)(H,31,32)