(2S)-2-[[(2R)-2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]pentanedioate

Systemtic Name: (2S)-2-[[(2R)-2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]pentanedioate Openeye Name: (2S)-2-[[(2R)-2-(4-butyl-8-methyl-2-oxo-chromen-7-yl)oxypropanoyl]amino]pentanedioate CAS Name: (2S)-2-[[(2R)-2-[(4-butyl-8-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]pentanedioate IUPAC Name: (2S)-2-[[(2R)-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]pentanedioate Traditional Name: (2S)-2-[[(2R)-2-(4-butyl-2-keto-8-methyl-chromen-7-yl)oxypropanoyl]amino]glutarate Formula: C22H25NO8-2 MolecularWeight: 431.4358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO8/c1-4-5-6-14-11-19(26)31-20-12(2)17(9-7-15(14)20)30-13(3)21(27)23-16(22(28)29)8-10-18(24)25/h7,9,11,13,16H,4-6,8,10H2,1-3H3,(H,23,27)(H,24,25)(H,28,29)/p-2/t13-,16+/m1/s1