6-[[(2S)-2-(3,4,8-trimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]hexanoate

Systemtic Name: 6-[[(2S)-2-(3,4,8-trimethyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]hexanoate Openeye Name: 6-[[(2S)-2-(3,4,8-trimethyl-2-oxo-chromen-7-yl)oxypropanoyl]amino]hexanoate CAS Name: 6-[[(2S)-1-oxo-2-[(3,4,8-trimethyl-2-oxo-1-benzopyran-7-yl)oxy]propyl]amino]hexanoate IUPAC Name: 6-[[(2S)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxypropanoyl]amino]hexanoate Traditional Name: 6-[[(2S)-2-(2-keto-3,4,8-trimethyl-chromen-7-yl)oxypropanoyl]amino]hexanoate Formula: C21H26NO6- MolecularWeight: 388.43424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NCCCCCC(=O)[O-])C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)O[C@@H](C)C(=O)NCCCCCC(=O)[O-])C

InChI

InChI=1S/C21H27NO6/c1-12-13(2)21(26)28-19-14(3)17(10-9-16(12)19)27-15(4)20(25)22-11-7-5-6-8-18(23)24/h9-10,15H,5-8,11H2,1-4H3,(H,22,25)(H,23,24)/p-1/t15-/m0/s1