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

Systemtic Name: 3-[5-acetyloxy-1-[(4-chlorophenyl)methyl]-3-methyl-indol-2-yl]propanoic acid Openeye Name: 3-[5-acetoxy-1-[(4-chlorophenyl)methyl]-3-methyl-indol-2-yl]propanoic acid CAS Name: 3-[5-acetyloxy-1-[(4-chlorophenyl)methyl]-3-methyl-2-indolyl]propanoic acid IUPAC Name: 3-[5-acetyloxy-1-[(4-chlorophenyl)methyl]-3-methylindol-2-yl]propanoic acid Traditional Name: 3-[5-acetoxy-1-(4-chlorobenzyl)-3-methyl-indol-2-yl]propionic acid Formula: C21H20ClNO4 MolecularWeight: 385.8408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO4/c1-13-18-11-17(27-14(2)24)7-8-20(18)23(19(13)9-10-21(25)26)12-15-3-5-16(22)6-4-15/h3-8,11H,9-10,12H2,1-2H3,(H,25,26)