4-[2-[(4-butoxy-4-oxidanylidene-butan-2-yl)amino]-1-oxidanyl-ethyl]-7-oxidanyl-1H-indole-2-carboxylic acid

Systemtic Name: 4-[2-[(4-butoxy-4-oxidanylidene-butan-2-yl)amino]-1-oxidanyl-ethyl]-7-oxidanyl-1H-indole-2-carboxylic acid Openeye Name: 4-[2-[(3-butoxy-1-methyl-3-oxo-propyl)amino]-1-hydroxy-ethyl]-7-hydroxy-1H-indole-2-carboxylic acid CAS Name: 4-[2-[(4-butoxy-4-oxobutan-2-yl)amino]-1-hydroxyethyl]-7-hydroxy-1H-indole-2-carboxylic acid IUPAC Name: 4-[2-[(4-butoxy-4-oxobutan-2-yl)amino]-1-hydroxyethyl]-7-hydroxy-1H-indole-2-carboxylic acid Traditional Name: 4-[2-[(3-butoxy-3-keto-1-methyl-propyl)amino]-1-hydroxy-ethyl]-7-hydroxy-1H-indole-2-carboxylic acid Formula: C19H26N2O6 MolecularWeight: 378.41954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC(C)NCC(C1=C2C=C(NC2=C(C=C1)O)C(=O)O)O

Isomeric SMILES

CCCCOC(=O)CC(C)NCC(C1=C2C=C(NC2=C(C=C1)O)C(=O)O)O

InChI

InChI=1S/C19H26N2O6/c1-3-4-7-27-17(24)8-11(2)20-10-16(23)12-5-6-15(22)18-13(12)9-14(21-18)19(25)26/h5-6,9,11,16,20-23H,3-4,7-8,10H2,1-2H3,(H,25,26)