2-[1-(4-butoxyphenyl)carbonyl-2-methyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-(4-butoxyphenyl)carbonyl-2-methyl-indol-3-yl]ethanoic acid Openeye Name: 2-[1-(4-butoxybenzoyl)-2-methyl-indol-3-yl]acetic acid CAS Name: 2-[1-[(4-butoxyphenyl)-oxomethyl]-2-methyl-3-indolyl]acetic acid IUPAC Name: 2-[1-(4-butoxybenzoyl)-2-methylindol-3-yl]acetic acid Traditional Name: 2-[1-(4-butoxybenzoyl)-2-methyl-indol-3-yl]acetic acid Formula: C22H23NO4 MolecularWeight: 365.42232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2C(=C(C3=CC=CC=C32)CC(=O)O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2C(=C(C3=CC=CC=C32)CC(=O)O)C

InChI

InChI=1S/C22H23NO4/c1-3-4-13-27-17-11-9-16(10-12-17)22(26)23-15(2)19(14-21(24)25)18-7-5-6-8-20(18)23/h5-12H,3-4,13-14H2,1-2H3,(H,24,25)