1-methyl-3-[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl]indole-2-carboxylic acid

Systemtic Name: 1-methyl-3-[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl]indole-2-carboxylic acid Openeye Name: 1-methyl-3-[2-oxo-2-(3-pyridylmethylamino)ethyl]indole-2-carboxylic acid CAS Name: 1-methyl-3-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-2-indolecarboxylic acid IUPAC Name: 1-methyl-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]indole-2-carboxylic acid Traditional Name: 3-[2-keto-2-(3-pyridylmethylamino)ethyl]-1-methyl-indole-2-carboxylic acid Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NCC3=CN=CC=C3

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C18H17N3O3/c1-21-15-7-3-2-6-13(15)14(17(21)18(23)24)9-16(22)20-11-12-5-4-8-19-10-12/h2-8,10H,9,11H2,1H3,(H,20,22)(H,23,24)