2-[2-(4-butyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[2-(4-butyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[2-(4-butyl-2-oxo-chromen-7-yl)oxypropanoylamino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[(4-butyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[2-(4-butyl-2-oxochromen-7-yl)oxypropanoylamino]-3-phenylpropanoic acid Traditional Name: 2-[2-(4-butyl-2-keto-chromen-7-yl)oxypropanoylamino]-3-phenyl-propionic acid Formula: C25H27NO6 MolecularWeight: 437.48498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H27NO6/c1-3-4-10-18-14-23(27)32-22-15-19(11-12-20(18)22)31-16(2)24(28)26-21(25(29)30)13-17-8-6-5-7-9-17/h5-9,11-12,14-16,21H,3-4,10,13H2,1-2H3,(H,26,28)(H,29,30)