3-(1-morpholin-4-yl-2-oxidanyl-2-oxidanylidene-ethyl)-1-(phenylmethyl)indole-6-carboxylic acid

Systemtic Name: 3-(1-morpholin-4-yl-2-oxidanyl-2-oxidanylidene-ethyl)-1-(phenylmethyl)indole-6-carboxylic acid Openeye Name: 1-benzyl-3-(2-hydroxy-1-morpholino-2-oxo-ethyl)indole-6-carboxylic acid CAS Name: 3-[2-hydroxy-1-(4-morpholinyl)-2-oxoethyl]-1-(phenylmethyl)-6-indolecarboxylic acid IUPAC Name: 1-benzyl-3-(2-hydroxy-1-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid Traditional Name: 1-benzyl-3-(2-hydroxy-2-keto-1-morpholino-ethyl)indole-6-carboxylic acid Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(C2=CN(C3=C2C=CC(=C3)C(=O)O)CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1COCCN1C(C2=CN(C3=C2C=CC(=C3)C(=O)O)CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H22N2O5/c25-21(26)16-6-7-17-18(20(22(27)28)23-8-10-29-11-9-23)14-24(19(17)12-16)13-15-4-2-1-3-5-15/h1-7,12,14,20H,8-11,13H2,(H,25,26)(H,27,28)