(2S)-2-[2-(4-ethyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[2-(4-ethyl-8-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[2-(4-ethyl-8-methyl-2-oxo-chromen-7-yl)oxypropanoylamino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[2-[(4-ethyl-8-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxypropanoylamino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[2-(4-ethyl-2-keto-8-methyl-chromen-7-yl)oxypropanoylamino]-3-phenyl-propionic acid Formula: C24H25NO6 MolecularWeight: 423.4584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC1=CC(=O)OC2=C1C=CC(=C2C)OC(C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H25NO6/c1-4-17-13-21(26)31-22-14(2)20(11-10-18(17)22)30-15(3)23(27)25-19(24(28)29)12-16-8-6-5-7-9-16/h5-11,13,15,19H,4,12H2,1-3H3,(H,25,27)(H,28,29)/t15?,19-/m0/s1