4-[[2-(3-ethanoylindol-1-yl)ethanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-(3-ethanoylindol-1-yl)ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-(3-acetylindol-1-yl)acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-(3-acetyl-1-indolyl)-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(3-acetylindol-1-yl)acetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-(3-acetylindol-1-yl)acetyl]amino]methyl]benzoic acid Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(=O)C1=CN(C2=CC=CC=C21)CC(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H18N2O4/c1-13(23)17-11-22(18-5-3-2-4-16(17)18)12-19(24)21-10-14-6-8-15(9-7-14)20(25)26/h2-9,11H,10,12H2,1H3,(H,21,24)(H,25,26)