2-[1-(4-butoxyphenyl)carbonyl-5-chloranyl-2-methyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-(4-butoxyphenyl)carbonyl-5-chloranyl-2-methyl-indol-3-yl]ethanoic acid Openeye Name: 2-[1-(4-butoxybenzoyl)-5-chloro-2-methyl-indol-3-yl]acetic acid CAS Name: 2-[1-[(4-butoxyphenyl)-oxomethyl]-5-chloro-2-methyl-3-indolyl]acetic acid IUPAC Name: 2-[1-(4-butoxybenzoyl)-5-chloro-2-methylindol-3-yl]acetic acid Traditional Name: 2-[1-(4-butoxybenzoyl)-5-chloro-2-methyl-indol-3-yl]acetic acid Formula: C22H22ClNO4 MolecularWeight: 399.86738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2C(=C(C3=C2C=CC(=C3)Cl)CC(=O)O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2C(=C(C3=C2C=CC(=C3)Cl)CC(=O)O)C

InChI

InChI=1S/C22H22ClNO4/c1-3-4-11-28-17-8-5-15(6-9-17)22(27)24-14(2)18(13-21(25)26)19-12-16(23)7-10-20(19)24/h5-10,12H,3-4,11,13H2,1-2H3,(H,25,26)