3-[3-[(2-methoxy-4-methoxycarbonyl-phenyl)methyl]-1-propyl-indol-5-yl]-2-methyl-propanoic acid

Systemtic Name: 3-[3-[(2-methoxy-4-methoxycarbonyl-phenyl)methyl]-1-propyl-indol-5-yl]-2-methyl-propanoic acid Openeye Name: 3-[3-[(2-methoxy-4-methoxycarbonyl-phenyl)methyl]-1-propyl-indol-5-yl]-2-methyl-propanoic acid CAS Name: 3-[3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1-propyl-5-indolyl]-2-methylpropanoic acid IUPAC Name: 3-[3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1-propylindol-5-yl]-2-methylpropanoic acid Traditional Name: 3-[3-(4-carbomethoxy-2-methoxy-benzyl)-1-propyl-indol-5-yl]-2-methyl-propionic acid Formula: C25H29NO5 MolecularWeight: 423.50146

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=C1C=CC(=C2)CC(C)C(=O)O)CC3=C(C=C(C=C3)C(=O)OC)OC

Isomeric SMILES

CCCN1C=C(C2=C1C=CC(=C2)CC(C)C(=O)O)CC3=C(C=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C25H29NO5/c1-5-10-26-15-20(13-18-7-8-19(25(29)31-4)14-23(18)30-3)21-12-17(6-9-22(21)26)11-16(2)24(27)28/h6-9,12,14-16H,5,10-11,13H2,1-4H3,(H,27,28)