3-(5-bromanyl-1H-indol-3-yl)-2-(4-phenylbutanoylamino)propanoic acid

Systemtic Name: 3-(5-bromanyl-1H-indol-3-yl)-2-(4-phenylbutanoylamino)propanoic acid Openeye Name: 3-(5-bromo-1H-indol-3-yl)-2-(4-phenylbutanoylamino)propanoic acid CAS Name: 3-(5-bromo-1H-indol-3-yl)-2-[(1-oxo-4-phenylbutyl)amino]propanoic acid IUPAC Name: 3-(5-bromo-1H-indol-3-yl)-2-(4-phenylbutanoylamino)propanoic acid Traditional Name: 3-(5-bromo-1H-indol-3-yl)-2-(4-phenylbutanoylamino)propionic acid Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(=O)NC(CC2=CNC3=C2C=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC(=O)NC(CC2=CNC3=C2C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C21H21BrN2O3/c22-16-9-10-18-17(12-16)15(13-23-18)11-19(21(26)27)24-20(25)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-10,12-13,19,23H,4,7-8,11H2,(H,24,25)(H,26,27)