butyl 3-[2-[2-[3-azanylidene-6-ethoxy-5-(methylcarbamoyl)-1H-isoindol-2-yl]ethanoyl]phenyl]pyrrolidine-1-carboxylate

Systemtic Name: butyl 3-[2-[2-[3-azanylidene-6-ethoxy-5-(methylcarbamoyl)-1H-isoindol-2-yl]ethanoyl]phenyl]pyrrolidine-1-carboxylate Openeye Name: butyl 3-[2-[2-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]acetyl]phenyl]pyrrolidine-1-carboxylate CAS Name: 3-[2-[2-[6-ethoxy-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]-1-oxoethyl]phenyl]-1-pyrrolidinecarboxylic acid butyl ester IUPAC Name: butyl 3-[2-[2-[6-ethoxy-3-imino-5-(methylcarbamoyl)-1H-isoindol-2-yl]acetyl]phenyl]pyrrolidine-1-carboxylate Traditional Name: 3-[2-[2-[5-ethoxy-1-imino-6-(methylcarbamoyl)isoindolin-2-yl]acetyl]phenyl]pyrrolidine-1-carboxylic acid butyl ester Formula: C29H36N4O5 MolecularWeight: 520.61994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N1CCC(C1)C2=CC=CC=C2C(=O)CN3CC4=CC(=C(C=C4C3=N)C(=O)NC)OCC

Isomeric SMILES

CCCCOC(=O)N1CCC(C1)C2=CC=CC=C2C(=O)CN3CC4=CC(=C(C=C4C3=N)C(=O)NC)OCC

InChI

InChI=1S/C29H36N4O5/c1-4-6-13-38-29(36)32-12-11-19(16-32)21-9-7-8-10-22(21)25(34)18-33-17-20-14-26(37-5-2)24(28(35)31-3)15-23(20)27(33)30/h7-10,14-15,19,30H,4-6,11-13,16-18H2,1-3H3,(H,31,35)