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

Systemtic Name: 2-acetyloxy-2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]ethanoic acid Openeye Name: 2-acetoxy-2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methyl-indol-3-yl]acetic acid CAS Name: 2-acetyloxy-2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methyl-3-indolyl]acetic acid IUPAC Name: 2-acetyloxy-2-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetic acid Traditional Name: 2-acetoxy-2-[1-(4-chlorobenzyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid Formula: C21H20ClNO5 MolecularWeight: 401.8402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)OC)C(C(=O)O)OC(=O)C

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)OC)C(C(=O)O)OC(=O)C

InChI

InChI=1S/C21H20ClNO5/c1-12-19(20(21(25)26)28-13(2)24)17-10-16(27-3)8-9-18(17)23(12)11-14-4-6-15(22)7-5-14/h4-10,20H,11H2,1-3H3,(H,25,26)