2-[[2-(3,4-dimethoxyphenyl)-3-oxidanyl-heptanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[[2-(3,4-dimethoxyphenyl)-3-oxidanyl-heptanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-(3,4-dimethoxyphenyl)-3-hydroxy-heptanoyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-(3,4-dimethoxyphenyl)-3-hydroxy-1-oxoheptyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-(3,4-dimethoxyphenyl)-3-hydroxyheptanoyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-(3,4-dimethoxyphenyl)-3-hydroxy-heptanoyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C26H32N2O6 MolecularWeight: 468.54208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C1=CC(=C(C=C1)OC)OC)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)O

Isomeric SMILES

CCCCC(C(C1=CC(=C(C=C1)OC)OC)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)O

InChI

InChI=1S/C26H32N2O6/c1-4-5-10-21(29)24(16-11-12-22(33-2)23(14-16)34-3)25(30)28-20(26(31)32)13-17-15-27-19-9-7-6-8-18(17)19/h6-9,11-12,14-15,20-21,24,27,29H,4-5,10,13H2,1-3H3,(H,28,30)(H,31,32)