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

Systemtic Name: 4-[[(2S)-2-(4-ethyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]butanoate Openeye Name: 4-[[(2S)-2-(4-ethyl-2-oxo-chromen-7-yl)oxypropanoyl]amino]butanoate CAS Name: 4-[[(2S)-2-[(4-ethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]butanoate IUPAC Name: 4-[[(2S)-2-(4-ethyl-2-oxochromen-7-yl)oxypropanoyl]amino]butanoate Traditional Name: 4-[[(2S)-2-(4-ethyl-2-keto-chromen-7-yl)oxypropanoyl]amino]butyrate Formula: C18H20NO6- MolecularWeight: 346.3545

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NCCCC(=O)[O-]

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2)O[C@@H](C)C(=O)NCCCC(=O)[O-]

InChI

InChI=1S/C18H21NO6/c1-3-12-9-17(22)25-15-10-13(6-7-14(12)15)24-11(2)18(23)19-8-4-5-16(20)21/h6-7,9-11H,3-5,8H2,1-2H3,(H,19,23)(H,20,21)/p-1/t11-/m0/s1