2-[[2-[3-(1H-indol-3-yl)propanoylamino]phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[2-[3-(1H-indol-3-yl)propanoylamino]phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[2-[3-(1H-indol-3-yl)propanoylamino]benzoyl]amino]benzoic acid CAS Name: 2-[[[2-[[3-(1H-indol-3-yl)-1-oxopropyl]amino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[2-[3-(1H-indol-3-yl)propanoylamino]benzoyl]amino]benzoic acid Traditional Name: 2-[[2-[3-(1H-indol-3-yl)propanoylamino]benzoyl]amino]benzoic acid Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCC(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCC(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C25H21N3O4/c29-23(14-13-16-15-26-20-10-4-1-7-17(16)20)27-21-11-5-2-8-18(21)24(30)28-22-12-6-3-9-19(22)25(31)32/h1-12,15,26H,13-14H2,(H,27,29)(H,28,30)(H,31,32)