(2S)-4-methyl-2-[2-[4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxyethanoylamino]pentanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CC(C)C)C(=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)N[C@@H](CC(C)C)C(=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C25H27NO6/c1-15(2)11-21(24(28)29)26-23(27)14-31-18-9-10-19-16(3)20(25(30)32-22(19)13-18)12-17-7-5-4-6-8-17/h4-10,13,15,21H,11-12,14H2,1-3H3,(H,26,27)(H,28,29)/p-1/t21-/m0/s1