1-(4-oxidanyl-4-oxidanylidene-butyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid

Systemtic Name: 1-(4-oxidanyl-4-oxidanylidene-butyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid Openeye Name: 1-(4-hydroxy-4-oxo-butyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid CAS Name: 1-(4-hydroxy-4-oxobutyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid IUPAC Name: 1-(4-hydroxy-4-oxobutyl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid Traditional Name: 1-(4-hydroxy-4-keto-butyl)-2,3,4,9-tetrahydro-$b-carboline-1-carboxylic acid Formula: C16H18N2O4 MolecularWeight: 302.32512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=C1C3=CC=CC=C3N2)(CCCC(=O)O)C(=O)O

Isomeric SMILES

C1CNC(C2=C1C3=CC=CC=C3N2)(CCCC(=O)O)C(=O)O

InChI

InChI=1S/C16H18N2O4/c19-13(20)6-3-8-16(15(21)22)14-11(7-9-17-16)10-4-1-2-5-12(10)18-14/h1-2,4-5,17-18H,3,6-9H2,(H,19,20)(H,21,22)