2-[3-butyl-2-methyl-1-(phenylmethyl)-2H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[3-butyl-2-methyl-1-(phenylmethyl)-2H-indol-3-yl]ethanoic acid Openeye Name: 2-(1-benzyl-3-butyl-2-methyl-indolin-3-yl)acetic acid CAS Name: 2-[3-butyl-2-methyl-1-(phenylmethyl)-2H-indol-3-yl]acetic acid IUPAC Name: 2-(1-benzyl-3-butyl-2-methyl-2H-indol-3-yl)acetic acid Traditional Name: 2-(1-benzyl-3-butyl-2-methyl-indolin-3-yl)acetic acid Formula: C22H27NO2 MolecularWeight: 337.45528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(N(C2=CC=CC=C21)CC3=CC=CC=C3)C)CC(=O)O

Isomeric SMILES

CCCCC1(C(N(C2=CC=CC=C21)CC3=CC=CC=C3)C)CC(=O)O

InChI

InChI=1S/C22H27NO2/c1-3-4-14-22(15-21(24)25)17(2)23(16-18-10-6-5-7-11-18)20-13-9-8-12-19(20)22/h5-13,17H,3-4,14-16H2,1-2H3,(H,24,25)