4-[[(2S)-2-(2-oxidanylidene-4-propyl-chromen-7-yl)oxypropanoyl]amino]butanoate

Systemtic Name: 4-[[(2S)-2-(2-oxidanylidene-4-propyl-chromen-7-yl)oxypropanoyl]amino]butanoate Openeye Name: 4-[[(2S)-2-(2-oxo-4-propyl-chromen-7-yl)oxypropanoyl]amino]butanoate CAS Name: 4-[[(2S)-1-oxo-2-[(2-oxo-4-propyl-1-benzopyran-7-yl)oxy]propyl]amino]butanoate IUPAC Name: 4-[[(2S)-2-(2-oxo-4-propylchromen-7-yl)oxypropanoyl]amino]butanoate Traditional Name: 4-[[(2S)-2-(2-keto-4-propyl-chromen-7-yl)oxypropanoyl]amino]butyrate Formula: C19H22NO6- MolecularWeight: 360.38108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NCCCC(=O)[O-]

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)O[C@@H](C)C(=O)NCCCC(=O)[O-]

InChI

InChI=1S/C19H23NO6/c1-3-5-13-10-18(23)26-16-11-14(7-8-15(13)16)25-12(2)19(24)20-9-4-6-17(21)22/h7-8,10-12H,3-6,9H2,1-2H3,(H,20,24)(H,21,22)/p-1/t12-/m0/s1