octyl 1-[7-acetamido-5,8-bis(oxidanylidene)quinolin-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: octyl 1-[7-acetamido-5,8-bis(oxidanylidene)quinolin-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: octyl 1-(7-acetamido-5,8-dioxo-2-quinolyl)-9H-pyrido[3,4-b]indole-3-carboxylate CAS Name: 1-(7-acetamido-5,8-dioxo-2-quinolinyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid octyl ester IUPAC Name: octyl 1-(7-acetamido-5,8-dioxoquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: 1-(7-acetamido-5,8-diketo-2-quinolyl)-9H-$b-carboline-3-carboxylic acid octyl ester Formula: C31H30N4O5 MolecularWeight: 538.5937

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C4=NC5=C(C=C4)C(=O)C=C(C5=O)NC(=O)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C4=NC5=C(C=C4)C(=O)C=C(C5=O)NC(=O)C

InChI

InChI=1S/C31H30N4O5/c1-3-4-5-6-7-10-15-40-31(39)25-16-21-19-11-8-9-12-22(19)33-27(21)29(35-25)23-14-13-20-26(37)17-24(32-18(2)36)30(38)28(20)34-23/h8-9,11-14,16-17,33H,3-7,10,15H2,1-2H3,(H,32,36)