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

Systemtic Name: octyl 1-[7-azanyl-5,8-bis(oxidanylidene)quinolin-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: octyl 1-(7-amino-5,8-dioxo-2-quinolyl)-9H-pyrido[3,4-b]indole-3-carboxylate CAS Name: 1-(7-amino-5,8-dioxo-2-quinolinyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid octyl ester IUPAC Name: octyl 1-(7-amino-5,8-dioxoquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: 1-(7-amino-5,8-diketo-2-quinolyl)-9H-$b-carboline-3-carboxylic acid octyl ester Formula: C29H28N4O4 MolecularWeight: 496.55702

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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

Isomeric SMILES

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

InChI

InChI=1S/C29H28N4O4/c1-2-3-4-5-6-9-14-37-29(36)23-15-19-17-10-7-8-11-21(17)31-25(19)27(33-23)22-13-12-18-24(34)16-20(30)28(35)26(18)32-22/h7-8,10-13,15-16,31H,2-6,9,14,30H2,1H3