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

Systemtic Name: 3-[3-[(2-methoxy-4-methoxycarbonyl-phenyl)methyl]-1-propyl-indol-5-yl]-2,2-dimethyl-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-3-[3-[(2-methoxy-4-methoxycarbonyl-phenyl)methyl]-1-propyl-indol-5-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-hydroxy-3-[3-[(2-methoxy-4-methoxycarbonylphenyl)methyl]-1-propyl-5-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-hydroxy-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]-3-hydroxy-2,2-dimethyl-propionic acid Formula: C26H31NO6 MolecularWeight: 453.52744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO6/c1-6-11-27-15-19(12-16-7-8-18(24(29)33-5)14-22(16)32-4)20-13-17(9-10-21(20)27)23(28)26(2,3)25(30)31/h7-10,13-15,23,28H,6,11-12H2,1-5H3,(H,30,31)