2-ethyl-1-(4-oxidanyl-4-oxidanylidene-butyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-carboxylic acid

Systemtic Name: 2-ethyl-1-(4-oxidanyl-4-oxidanylidene-butyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-carboxylic acid Openeye Name: 2-ethyl-1-(4-hydroxy-4-oxo-butyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-carboxylic acid CAS Name: 2-ethyl-1-(4-hydroxy-4-oxobutyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-carboxylic acid IUPAC Name: 2-ethyl-1-(4-hydroxy-4-oxobutyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-carboxylic acid Traditional Name: 2-ethyl-1-(4-hydroxy-4-keto-butyl)-4,9-dihydro-3H-$b-carboline-1-carboxylic acid Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(C1(CCCC(=O)O)C(=O)O)NC3=CC=CC=C23

Isomeric SMILES

CCN1CCC2=C(C1(CCCC(=O)O)C(=O)O)NC3=CC=CC=C23

InChI

InChI=1S/C18H22N2O4/c1-2-20-11-9-13-12-6-3-4-7-14(12)19-16(13)18(20,17(23)24)10-5-8-15(21)22/h3-4,6-7,19H,2,5,8-11H2,1H3,(H,21,22)(H,23,24)