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

Systemtic Name: 3-methylbutyl 1-[7-acetamido-5,8-bis(oxidanylidene)quinolin-2-yl]-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: isopentyl 1-(7-acetamido-5,8-dioxo-2-quinolyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate CAS Name: 1-(7-acetamido-5,8-dioxo-2-quinolinyl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 1-(7-acetamido-5,8-dioxoquinolin-2-yl)-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: 1-(7-acetamido-5,8-diketo-2-quinolyl)-4-methyl-9H-$b-carboline-3-carboxylic acid isoamyl ester Formula: C29H26N4O5 MolecularWeight: 510.54054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C3=CC=CC=C3NC2=C(N=C1C(=O)OCCC(C)C)C4=NC5=C(C=C4)C(=O)C=C(C5=O)NC(=O)C

Isomeric SMILES

CC1=C2C3=CC=CC=C3NC2=C(N=C1C(=O)OCCC(C)C)C4=NC5=C(C=C4)C(=O)C=C(C5=O)NC(=O)C

InChI

InChI=1S/C29H26N4O5/c1-14(2)11-12-38-29(37)24-15(3)23-17-7-5-6-8-19(17)31-27(23)26(33-24)20-10-9-18-22(35)13-21(30-16(4)34)28(36)25(18)32-20/h5-10,13-14,31H,11-12H2,1-4H3,(H,30,34)