(2S)-2-[2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[[2-(4-butyl-8-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[2-[(4-butyl-8-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[[2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[2-(4-butyl-2-keto-8-methyl-chromen-7-yl)oxyacetyl]amino]-4-methyl-valerate Formula: C22H28NO6- MolecularWeight: 402.46082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)NC(CC(C)C)C(=O)[O-]

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OCC(=O)N[C@@H](CC(C)C)C(=O)[O-]

InChI

InChI=1S/C22H29NO6/c1-5-6-7-15-11-20(25)29-21-14(4)18(9-8-16(15)21)28-12-19(24)23-17(22(26)27)10-13(2)3/h8-9,11,13,17H,5-7,10,12H2,1-4H3,(H,23,24)(H,26,27)/p-1/t17-/m0/s1