ethyl 3-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-1-methyl-6-pyridin-4-yl-indole-5-carboxylate

Systemtic Name: ethyl 3-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-1-methyl-6-pyridin-4-yl-indole-5-carboxylate Openeye Name: ethyl 3-[2-(1,3-dioxoisoindolin-2-yl)ethyl]-1-methyl-6-(4-pyridyl)indole-5-carboxylate CAS Name: 3-[2-(1,3-dioxo-2-isoindolyl)ethyl]-1-methyl-6-pyridin-4-yl-5-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1-methyl-6-pyridin-4-ylindole-5-carboxylate Traditional Name: 1-methyl-3-(2-phthalimidoethyl)-6-(4-pyridyl)indole-5-carboxylic acid ethyl ester Formula: C27H23N3O4 MolecularWeight: 453.48922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2C(=C1)C(=CN2C)CCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=NC=C5

Isomeric SMILES

CCOC(=O)C1=C(C=C2C(=C1)C(=CN2C)CCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=NC=C5

InChI

InChI=1S/C27H23N3O4/c1-3-34-27(33)23-14-22-18(10-13-30-25(31)19-6-4-5-7-20(19)26(30)32)16-29(2)24(22)15-21(23)17-8-11-28-12-9-17/h4-9,11-12,14-16H,3,10,13H2,1-2H3