4-oxidanylidene-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)quinolizine-3-carboxylic acid

Systemtic Name: 4-oxidanylidene-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)quinolizine-3-carboxylic acid Openeye Name: 4-oxo-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)quinolizine-3-carboxylic acid CAS Name: 4-oxo-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)-3-quinolizinecarboxylic acid IUPAC Name: 4-oxo-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ylmethyl)quinolizine-3-carboxylic acid Traditional Name: 4-keto-1-(1,3,4,9-tetrahydro-$b-carbolin-2-ylmethyl)quinolizine-3-carboxylic acid Formula: C22H19N3O3 MolecularWeight: 373.40456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C3=CC=CC=C3N2)CC4=C5C=CC=CN5C(=O)C(=C4)C(=O)O

Isomeric SMILES

C1CN(CC2=C1C3=CC=CC=C3N2)CC4=C5C=CC=CN5C(=O)C(=C4)C(=O)O

InChI

InChI=1S/C22H19N3O3/c26-21-17(22(27)28)11-14(20-7-3-4-9-25(20)21)12-24-10-8-16-15-5-1-2-6-18(15)23-19(16)13-24/h1-7,9,11,23H,8,10,12-13H2,(H,27,28)