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

Systemtic Name: 3-[1-[(4-chlorophenyl)methyl]-3-methyl-5-prop-2-enoxy-indol-2-yl]propanoic acid Openeye Name: 3-[5-allyloxy-1-[(4-chlorophenyl)methyl]-3-methyl-indol-2-yl]propanoic acid CAS Name: 3-[1-[(4-chlorophenyl)methyl]-3-methyl-5-prop-2-enoxy-2-indolyl]propanoic acid IUPAC Name: 3-[1-[(4-chlorophenyl)methyl]-3-methyl-5-prop-2-enoxyindol-2-yl]propanoic acid Traditional Name: 3-[5-allyloxy-1-(4-chlorobenzyl)-3-methyl-indol-2-yl]propionic acid Formula: C22H22ClNO3 MolecularWeight: 383.86798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)OCC=C)CC3=CC=C(C=C3)Cl)CCC(=O)O

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)OCC=C)CC3=CC=C(C=C3)Cl)CCC(=O)O

InChI

InChI=1S/C22H22ClNO3/c1-3-12-27-18-8-9-21-19(13-18)15(2)20(10-11-22(25)26)24(21)14-16-4-6-17(23)7-5-16/h3-9,13H,1,10-12,14H2,2H3,(H,25,26)