(2S,3R)-2-[2-[4-(4-methoxyphenyl)-8-methyl-2-oxidanylidene-chromen-7-yl]oxyethanoylamino]-3-methyl-pentanoate

Systemtic Name: (2S,3R)-2-[2-[4-(4-methoxyphenyl)-8-methyl-2-oxidanylidene-chromen-7-yl]oxyethanoylamino]-3-methyl-pentanoate Openeye Name: (2S,3R)-2-[[2-[4-(4-methoxyphenyl)-8-methyl-2-oxo-chromen-7-yl]oxyacetyl]amino]-3-methyl-pentanoate CAS Name: (2S,3R)-2-[[2-[[4-(4-methoxyphenyl)-8-methyl-2-oxo-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]-3-methylpentanoate IUPAC Name: (2S,3R)-2-[[2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxyacetyl]amino]-3-methylpentanoate Traditional Name: (2S,3R)-2-[[2-[2-keto-4-(4-methoxyphenyl)-8-methyl-chromen-7-yl]oxyacetyl]amino]-3-methyl-valerate Formula: C25H26NO7- MolecularWeight: 452.47644

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)COC1=C(C2=C(C=C1)C(=CC(=O)O2)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)[O-])NC(=O)COC1=C(C2=C(C=C1)C(=CC(=O)O2)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C25H27NO7/c1-5-14(2)23(25(29)30)26-21(27)13-32-20-11-10-18-19(12-22(28)33-24(18)15(20)3)16-6-8-17(31-4)9-7-16/h6-12,14,23H,5,13H2,1-4H3,(H,26,27)(H,29,30)/p-1/t14-,23+/m1/s1