(2R)-2-[2-[4,8-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxyethanoylamino]pentanoate

Systemtic Name: (2R)-2-[2-[4,8-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxyethanoylamino]pentanoate Openeye Name: (2R)-2-[[2-(3-benzyl-4,8-dimethyl-2-oxo-chromen-7-yl)oxyacetyl]amino]pentanoate CAS Name: (2R)-2-[[2-[[4,8-dimethyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]pentanoate IUPAC Name: (2R)-2-[[2-(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]pentanoate Traditional Name: (2R)-2-[[2-(3-benzyl-2-keto-4,8-dimethyl-chromen-7-yl)oxyacetyl]amino]valerate Formula: C25H26NO6- MolecularWeight: 436.47704

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)[O-])NC(=O)COC1=C(C2=C(C=C1)C(=C(C(=O)O2)CC3=CC=CC=C3)C)C

Isomeric SMILES

CCC[C@H](C(=O)[O-])NC(=O)COC1=C(C2=C(C=C1)C(=C(C(=O)O2)CC3=CC=CC=C3)C)C

InChI

InChI=1S/C25H27NO6/c1-4-8-20(24(28)29)26-22(27)14-31-21-12-11-18-15(2)19(13-17-9-6-5-7-10-17)25(30)32-23(18)16(21)3/h5-7,9-12,20H,4,8,13-14H2,1-3H3,(H,26,27)(H,28,29)/p-1/t20-/m1/s1