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

Systemtic Name: 3-methylbutyl 1-[7-acetamido-5,8-bis(oxidanylidene)quinolin-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: isopentyl 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 3-methylbutyl ester IUPAC Name: 3-methylbutyl 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 isoamyl ester Formula: C28H24N4O5 MolecularWeight: 496.51396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=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

CC(C)CCOC(=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/C28H24N4O5/c1-14(2)10-11-37-28(36)22-12-18-16-6-4-5-7-19(16)30-24(18)26(32-22)20-9-8-17-23(34)13-21(29-15(3)33)27(35)25(17)31-20/h4-9,12-14,30H,10-11H2,1-3H3,(H,29,33)