2-[3-(1H-indol-3-yl)propanoylamino]terephthalic acid

Systemtic Name: 2-[3-(1H-indol-3-yl)propanoylamino]terephthalic acid Openeye Name: 2-[3-(1H-indol-3-yl)propanoylamino]terephthalic acid CAS Name: 2-[[3-(1H-indol-3-yl)-1-oxopropyl]amino]terephthalic acid IUPAC Name: 2-[3-(1H-indol-3-yl)propanoylamino]terephthalic acid Traditional Name: 2-[3-(1H-indol-3-yl)propanoylamino]terephthalic acid Formula: C19H16N2O5 MolecularWeight: 352.34074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O5/c22-17(8-6-12-10-20-15-4-2-1-3-13(12)15)21-16-9-11(18(23)24)5-7-14(16)19(25)26/h1-5,7,9-10,20H,6,8H2,(H,21,22)(H,23,24)(H,25,26)