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

Systemtic Name: (2S)-2-[[(2R)-2-(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]butanedioate Openeye Name: (2S)-2-[[(2R)-2-(4-butyl-8-methyl-2-oxo-chromen-7-yl)oxypropanoyl]amino]butanedioate CAS Name: (2S)-2-[[(2R)-2-[(4-butyl-8-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]butanedioate IUPAC Name: (2S)-2-[[(2R)-2-(4-butyl-8-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]butanedioate Traditional Name: (2S)-2-[[(2R)-2-(4-butyl-2-keto-8-methyl-chromen-7-yl)oxypropanoyl]amino]succinate Formula: C21H23NO8-2 MolecularWeight: 417.40922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO8/c1-4-5-6-13-9-18(25)30-19-11(2)16(8-7-14(13)19)29-12(3)20(26)22-15(21(27)28)10-17(23)24/h7-9,12,15H,4-6,10H2,1-3H3,(H,22,26)(H,23,24)(H,27,28)/p-2/t12-,15+/m1/s1