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

Systemtic Name: (2S)-2-[2-(4-butyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[[2-(4-butyl-2-oxo-chromen-7-yl)oxyacetyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[2-[(4-butyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[[2-(4-butyl-2-oxochromen-7-yl)oxyacetyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[2-(4-butyl-2-keto-chromen-7-yl)oxyacetyl]amino]-4-methyl-valerate Formula: C21H26NO6- MolecularWeight: 388.43424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CC(C)C)C(=O)[O-]

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N[C@@H](CC(C)C)C(=O)[O-]

InChI

InChI=1S/C21H27NO6/c1-4-5-6-14-10-20(24)28-18-11-15(7-8-16(14)18)27-12-19(23)22-17(21(25)26)9-13(2)3/h7-8,10-11,13,17H,4-6,9,12H2,1-3H3,(H,22,23)(H,25,26)/p-1/t17-/m0/s1