2-[(3-cyano-1-methyl-indol-2-yl)methylamino]benzoic acid

Systemtic Name: 2-[(3-cyano-1-methyl-indol-2-yl)methylamino]benzoic acid Openeye Name: 2-[(3-cyano-1-methyl-indol-2-yl)methylamino]benzoic acid CAS Name: 2-[(3-cyano-1-methyl-2-indolyl)methylamino]benzoic acid IUPAC Name: 2-[(3-cyano-1-methylindol-2-yl)methylamino]benzoic acid Traditional Name: 2-[(3-cyano-1-methyl-indol-2-yl)methylamino]benzoic acid Formula: C18H15N3O2 MolecularWeight: 305.3306

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1CNC3=CC=CC=C3C(=O)O)C#N

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1CNC3=CC=CC=C3C(=O)O)C#N

InChI

InChI=1S/C18H15N3O2/c1-21-16-9-5-3-6-12(16)14(10-19)17(21)11-20-15-8-4-2-7-13(15)18(22)23/h2-9,20H,11H2,1H3,(H,22,23)