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

Systemtic Name: 3-[3-[(2-methoxy-4-methoxycarbonyl-phenyl)methyl]-1-propyl-indol-5-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[3-[(2-methoxy-4-methoxycarbonyl-phenyl)methyl]-1-propyl-indol-5-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1-propyl-5-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1-propylindol-5-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[3-(4-carbomethoxy-2-methoxy-benzyl)-1-propyl-indol-5-yl]-2,2-dimethyl-propionic acid Formula: C26H31NO5 MolecularWeight: 437.52804

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H31NO5/c1-6-11-27-16-20(13-18-8-9-19(24(28)32-5)14-23(18)31-4)21-12-17(7-10-22(21)27)15-26(2,3)25(29)30/h7-10,12,14,16H,6,11,13,15H2,1-5H3,(H,29,30)