4-[[2-(4-chloranylindol-1-yl)ethanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-(4-chloranylindol-1-yl)ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-(4-chloroindol-1-yl)acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-(4-chloro-1-indolyl)-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(4-chloroindol-1-yl)acetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-(4-chloroindol-1-yl)acetyl]amino]methyl]benzoic acid Formula: C18H15ClN2O3 MolecularWeight: 342.7763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN2CC(=O)NCC3=CC=C(C=C3)C(=O)O)C(=C1)Cl

Isomeric SMILES

C1=CC2=C(C=CN2CC(=O)NCC3=CC=C(C=C3)C(=O)O)C(=C1)Cl

InChI

InChI=1S/C18H15ClN2O3/c19-15-2-1-3-16-14(15)8-9-21(16)11-17(22)20-10-12-4-6-13(7-5-12)18(23)24/h1-9H,10-11H2,(H,20,22)(H,23,24)