4-[4-cyano-2-[2-(1H-indol-3-yl)propanoylamino]phenyl]butanoic acid

Systemtic Name: 4-[4-cyano-2-[2-(1H-indol-3-yl)propanoylamino]phenyl]butanoic acid Openeye Name: 4-[4-cyano-2-[2-(1H-indol-3-yl)propanoylamino]phenyl]butanoic acid CAS Name: 4-[4-cyano-2-[[2-(1H-indol-3-yl)-1-oxopropyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-cyano-2-[2-(1H-indol-3-yl)propanoylamino]phenyl]butanoic acid Traditional Name: 4-[4-cyano-2-[2-(1H-indol-3-yl)propanoylamino]phenyl]butyric acid Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CNC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)C#N)CCCC(=O)O

Isomeric SMILES

CC(C1=CNC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)C#N)CCCC(=O)O

InChI

InChI=1S/C22H21N3O3/c1-14(18-13-24-19-7-3-2-6-17(18)19)22(28)25-20-11-15(12-23)9-10-16(20)5-4-8-21(26)27/h2-3,6-7,9-11,13-14,24H,4-5,8H2,1H3,(H,25,28)(H,26,27)