tert-butyl 4-[(3-ethoxy-4-propan-2-yloxy-phenyl)methylamino]-1,3-dihydroisoindole-2-carboxylate

Systemtic Name: tert-butyl 4-[(3-ethoxy-4-propan-2-yloxy-phenyl)methylamino]-1,3-dihydroisoindole-2-carboxylate Openeye Name: tert-butyl 4-[(3-ethoxy-4-isopropoxy-phenyl)methylamino]isoindoline-2-carboxylate CAS Name: 4-[(3-ethoxy-4-propan-2-yloxyphenyl)methylamino]-1,3-dihydroisoindole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3-ethoxy-4-propan-2-yloxyphenyl)methylamino]-1,3-dihydroisoindole-2-carboxylate Traditional Name: 4-[(3-ethoxy-4-isopropoxy-benzyl)amino]isoindoline-2-carboxylic acid tert-butyl ester Formula: C25H34N2O4 MolecularWeight: 426.54846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNC2=CC=CC3=C2CN(C3)C(=O)OC(C)(C)C)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNC2=CC=CC3=C2CN(C3)C(=O)OC(C)(C)C)OC(C)C

InChI

InChI=1S/C25H34N2O4/c1-7-29-23-13-18(11-12-22(23)30-17(2)3)14-26-21-10-8-9-19-15-27(16-20(19)21)24(28)31-25(4,5)6/h8-13,17,26H,7,14-16H2,1-6H3