4-[[3-(5-bromanylindol-1-yl)propanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[3-(5-bromanylindol-1-yl)propanoylamino]methyl]benzoic acid Openeye Name: 4-[[3-(5-bromoindol-1-yl)propanoylamino]methyl]benzoic acid CAS Name: 4-[[[3-(5-bromo-1-indolyl)-1-oxopropyl]amino]methyl]benzoic acid IUPAC Name: 4-[[3-(5-bromoindol-1-yl)propanoylamino]methyl]benzoic acid Traditional Name: 4-[[3-(5-bromoindol-1-yl)propanoylamino]methyl]benzoic acid Formula: C19H17BrN2O3 MolecularWeight: 401.25388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CCN2C=CC3=C2C=CC(=C3)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CCN2C=CC3=C2C=CC(=C3)Br)C(=O)O

InChI

InChI=1S/C19H17BrN2O3/c20-16-5-6-17-15(11-16)7-9-22(17)10-8-18(23)21-12-13-1-3-14(4-2-13)19(24)25/h1-7,9,11H,8,10,12H2,(H,21,23)(H,24,25)