3-[1-[(2-methoxy-4-methoxycarbonyl-phenyl)methyl]-3-propyl-indol-6-yl]-2-methyl-propanoic acid

Systemtic Name: 3-[1-[(2-methoxy-4-methoxycarbonyl-phenyl)methyl]-3-propyl-indol-6-yl]-2-methyl-propanoic acid Openeye Name: 3-[1-[(2-methoxy-4-methoxycarbonyl-phenyl)methyl]-3-propyl-indol-6-yl]-2-methyl-propanoic acid CAS Name: 3-[1-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-3-propyl-6-indolyl]-2-methylpropanoic acid IUPAC Name: 3-[1-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-3-propylindol-6-yl]-2-methylpropanoic acid Traditional Name: 3-[1-(4-carbomethoxy-2-methoxy-benzyl)-3-propyl-indol-6-yl]-2-methyl-propionic acid Formula: C25H29NO5 MolecularWeight: 423.50146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN(C2=C1C=CC(=C2)CC(C)C(=O)O)CC3=C(C=C(C=C3)C(=O)OC)OC

Isomeric SMILES

CCCC1=CN(C2=C1C=CC(=C2)CC(C)C(=O)O)CC3=C(C=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C25H29NO5/c1-5-6-19-14-26(15-20-9-8-18(25(29)31-4)13-23(20)30-3)22-12-17(7-10-21(19)22)11-16(2)24(27)28/h7-10,12-14,16H,5-6,11,15H2,1-4H3,(H,27,28)