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

Systemtic Name: sodium 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoic acid trihydrate Openeye Name: sodium 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid trihydrate CAS Name: sodium 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]acetic acid trihydrate IUPAC Name: sodium 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid trihydrate Traditional Name: sodium 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid trihydrate Formula: C19H22ClNNaO7+ MolecularWeight: 434.82325

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.O.O.O.[Na+]

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.O.O.O.[Na+]

InChI

InChI=1S/C19H16ClNO4.Na.3H2O/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12;;;;/h3-9H,10H2,1-2H3,(H,22,23);;3*1H2/q;+1;;;