3-[1-[(4-chlorophenyl)methyl]-3-methyl-5-oxidanyl-4-propyl-indol-2-yl]propanoic acid

Systemtic Name: 3-[1-[(4-chlorophenyl)methyl]-3-methyl-5-oxidanyl-4-propyl-indol-2-yl]propanoic acid Openeye Name: 3-[1-[(4-chlorophenyl)methyl]-5-hydroxy-3-methyl-4-propyl-indol-2-yl]propanoic acid CAS Name: 3-[1-[(4-chlorophenyl)methyl]-5-hydroxy-3-methyl-4-propyl-2-indolyl]propanoic acid IUPAC Name: 3-[1-[(4-chlorophenyl)methyl]-5-hydroxy-3-methyl-4-propylindol-2-yl]propanoic acid Traditional Name: 3-[1-(4-chlorobenzyl)-5-hydroxy-3-methyl-4-propyl-indol-2-yl]propionic acid Formula: C22H24ClNO3 MolecularWeight: 385.88386

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1C(=C(N2CC3=CC=C(C=C3)Cl)CCC(=O)O)C)O

Isomeric SMILES

CCCC1=C(C=CC2=C1C(=C(N2CC3=CC=C(C=C3)Cl)CCC(=O)O)C)O

InChI

InChI=1S/C22H24ClNO3/c1-3-4-17-20(25)11-9-19-22(17)14(2)18(10-12-21(26)27)24(19)13-15-5-7-16(23)8-6-15/h5-9,11,25H,3-4,10,12-13H2,1-2H3,(H,26,27)