tert-butyl 3-[3-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-5-[2-[2-[3-(dimethylamino)propoxy]phenyl]ethyl]phenyl]propanoate

Systemtic Name: tert-butyl 3-[3-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-5-[2-[2-[3-(dimethylamino)propoxy]phenyl]ethyl]phenyl]propanoate Openeye Name: tert-butyl 3-[3-[2-[2-[3-(dimethylamino)propoxy]phenyl]ethyl]-5-[2-(1,3-dioxoisoindolin-2-yl)ethyl]phenyl]propanoate CAS Name: 3-[3-[2-[2-[3-(dimethylamino)propoxy]phenyl]ethyl]-5-[2-(1,3-dioxo-2-isoindolyl)ethyl]phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-[2-[2-[3-(dimethylamino)propoxy]phenyl]ethyl]-5-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]propanoate Traditional Name: 3-[3-[2-[2-[3-(dimethylamino)propoxy]phenyl]ethyl]-5-(2-phthalimidoethyl)phenyl]propionic acid tert-butyl ester Formula: C36H44N2O5 MolecularWeight: 584.74496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC1=CC(=CC(=C1)CCC2=CC=CC=C2OCCCN(C)C)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)(C)OC(=O)CCC1=CC(=CC(=C1)CCC2=CC=CC=C2OCCCN(C)C)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C36H44N2O5/c1-36(2,3)43-33(39)18-16-27-23-26(15-17-29-11-6-9-14-32(29)42-22-10-20-37(4)5)24-28(25-27)19-21-38-34(40)30-12-7-8-13-31(30)35(38)41/h6-9,11-14,23-25H,10,15-22H2,1-5H3