2-[[2-methyl-3-(2-oxidanylidenepropyl)-1-(phenylmethyl)indol-5-yl]oxymethyl]benzoic acid

Systemtic Name: 2-[[2-methyl-3-(2-oxidanylidenepropyl)-1-(phenylmethyl)indol-5-yl]oxymethyl]benzoic acid Openeye Name: 2-[(3-acetonyl-1-benzyl-2-methyl-indol-5-yl)oxymethyl]benzoic acid CAS Name: 2-[[2-methyl-3-(2-oxopropyl)-1-(phenylmethyl)-5-indolyl]oxymethyl]benzoic acid IUPAC Name: 2-[[1-benzyl-2-methyl-3-(2-oxopropyl)indol-5-yl]oxymethyl]benzoic acid Traditional Name: 2-[(3-acetonyl-1-benzyl-2-methyl-indol-5-yl)oxymethyl]benzoic acid Formula: C27H25NO4 MolecularWeight: 427.4917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCC4=CC=CC=C4C(=O)O)CC(=O)C

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCC4=CC=CC=C4C(=O)O)CC(=O)C

InChI

InChI=1S/C27H25NO4/c1-18(29)14-24-19(2)28(16-20-8-4-3-5-9-20)26-13-12-22(15-25(24)26)32-17-21-10-6-7-11-23(21)27(30)31/h3-13,15H,14,16-17H2,1-2H3,(H,30,31)