4-[3-(1H-indol-3-yl)propanoylamino]benzoic acid

Systemtic Name: 4-[3-(1H-indol-3-yl)propanoylamino]benzoic acid Openeye Name: 4-[3-(1H-indol-3-yl)propanoylamino]benzoic acid CAS Name: 4-[[3-(1H-indol-3-yl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[3-(1H-indol-3-yl)propanoylamino]benzoic acid Traditional Name: 4-[3-(1H-indol-3-yl)propanoylamino]benzoic acid Formula: C18H16N2O3 MolecularWeight: 308.33124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H16N2O3/c21-17(20-14-8-5-12(6-9-14)18(22)23)10-7-13-11-19-16-4-2-1-3-15(13)16/h1-6,8-9,11,19H,7,10H2,(H,20,21)(H,22,23)