(2R)-2-[(4-butyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylamino]-3-methyl-butanoic acid

Systemtic Name: (2R)-2-[(4-butyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylamino]-3-methyl-butanoic acid Openeye Name: (2R)-2-[(4-butyl-7-hydroxy-2-oxo-chromen-8-yl)methylamino]-3-methyl-butanoic acid CAS Name: (2R)-2-[(4-butyl-7-hydroxy-2-oxo-1-benzopyran-8-yl)methylamino]-3-methylbutanoic acid IUPAC Name: (2R)-2-[(4-butyl-7-hydroxy-2-oxochromen-8-yl)methylamino]-3-methylbutanoic acid Traditional Name: (2R)-2-[(4-butyl-7-hydroxy-2-keto-chromen-8-yl)methylamino]-3-methyl-butyric acid Formula: C19H25NO5 MolecularWeight: 347.4055

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2CNC(C(C)C)C(=O)O)O

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2CN[C@H](C(C)C)C(=O)O)O

InChI

InChI=1S/C19H25NO5/c1-4-5-6-12-9-16(22)25-18-13(12)7-8-15(21)14(18)10-20-17(11(2)3)19(23)24/h7-9,11,17,20-21H,4-6,10H2,1-3H3,(H,23,24)/t17-/m1/s1