4-[(3-cyano-1-methyl-indol-2-yl)methylamino]benzoate

Systemtic Name: 4-[(3-cyano-1-methyl-indol-2-yl)methylamino]benzoate Openeye Name: 4-[(3-cyano-1-methyl-indol-2-yl)methylamino]benzoate CAS Name: 4-[(3-cyano-1-methyl-2-indolyl)methylamino]benzoate IUPAC Name: 4-[(3-cyano-1-methylindol-2-yl)methylamino]benzoate Traditional Name: 4-[(3-cyano-1-methyl-indol-2-yl)methylamino]benzoate Formula: C18H14N3O2- MolecularWeight: 304.32266

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1CNC3=CC=C(C=C3)C(=O)[O-])C#N

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1CNC3=CC=C(C=C3)C(=O)[O-])C#N

InChI

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