2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-quinolinecarboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)cinchoninic acid 2-phthalimidoethyl ester Formula: C27H20N2O5 MolecularWeight: 452.4581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H20N2O5/c1-33-18-12-10-17(11-13-18)24-16-22(19-6-4-5-9-23(19)28-24)27(32)34-15-14-29-25(30)20-7-2-3-8-21(20)26(29)31/h2-13,16H,14-15H2,1H3