octyl 1-[7-azanyl-6-chloranyl-5,8-bis(oxidanylidene)quinolin-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: octyl 1-[7-azanyl-6-chloranyl-5,8-bis(oxidanylidene)quinolin-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: octyl 1-(7-amino-6-chloro-5,8-dioxo-2-quinolyl)-9H-pyrido[3,4-b]indole-3-carboxylate CAS Name: 1-(7-amino-6-chloro-5,8-dioxo-2-quinolinyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid octyl ester IUPAC Name: octyl 1-(7-amino-6-chloro-5,8-dioxoquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: 1-(7-amino-6-chloro-5,8-diketo-2-quinolyl)-9H-$b-carboline-3-carboxylic acid octyl ester Formula: C29H27ClN4O4 MolecularWeight: 531.00208

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)N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C29H27ClN4O4/c1-2-3-4-5-6-9-14-38-29(37)21-15-18-16-10-7-8-11-19(16)32-24(18)26(34-21)20-13-12-17-25(33-20)28(36)23(31)22(30)27(17)35/h7-8,10-13,15,32H,2-6,9,14,31H2,1H3