5-chloranyl-3-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]-1H-indole-2-carboxylic acid

Systemtic Name: 5-chloranyl-3-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]-1H-indole-2-carboxylic acid Openeye Name: 5-chloro-3-[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]-1H-indole-2-carboxylic acid CAS Name: 5-chloro-3-[2-oxo-2-(2-oxolanylmethylamino)ethyl]-1H-indole-2-carboxylic acid IUPAC Name: 5-chloro-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1H-indole-2-carboxylic acid Traditional Name: 5-chloro-3-[2-keto-2-(tetrahydrofurfurylamino)ethyl]-1H-indole-2-carboxylic acid Formula: C16H17ClN2O4 MolecularWeight: 336.77018

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1CC(OC1)CNC(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C16H17ClN2O4/c17-9-3-4-13-11(6-9)12(15(19-13)16(21)22)7-14(20)18-8-10-2-1-5-23-10/h3-4,6,10,19H,1-2,5,7-8H2,(H,18,20)(H,21,22)