4-[3-(carboxymethyl)-2-methyl-1-(phenylmethyl)indol-5-yl]oxybutanoic acid

Systemtic Name: 4-[3-(carboxymethyl)-2-methyl-1-(phenylmethyl)indol-5-yl]oxybutanoic acid Openeye Name: 4-[1-benzyl-3-(carboxymethyl)-2-methyl-indol-5-yl]oxybutanoic acid CAS Name: 4-[[3-(carboxymethyl)-2-methyl-1-(phenylmethyl)-5-indolyl]oxy]butanoic acid IUPAC Name: 4-[1-benzyl-3-(carboxymethyl)-2-methylindol-5-yl]oxybutanoic acid Traditional Name: 4-[1-benzyl-3-(carboxymethyl)-2-methyl-indol-5-yl]oxybutyric acid Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCCCC(=O)O)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCCCC(=O)O)CC(=O)O

InChI

InChI=1S/C22H23NO5/c1-15-18(13-22(26)27)19-12-17(28-11-5-8-21(24)25)9-10-20(19)23(15)14-16-6-3-2-4-7-16/h2-4,6-7,9-10,12H,5,8,11,13-14H2,1H3,(H,24,25)(H,26,27)