tert-butyl 3-[[1-[(4-methoxyphenyl)methylamino]isoquinolin-5-yl]oxymethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[1-[(4-methoxyphenyl)methylamino]isoquinolin-5-yl]oxymethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[1-[(4-methoxyphenyl)methylamino]-5-isoquinolyl]oxymethyl]piperidine-1-carboxylate CAS Name: 3-[[1-[(4-methoxyphenyl)methylamino]-5-isoquinolinyl]oxymethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[1-[(4-methoxyphenyl)methylamino]isoquinolin-5-yl]oxymethyl]piperidine-1-carboxylate Traditional Name: 3-[[1-(p-anisylamino)-5-isoquinolyl]oxymethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H35N3O4 MolecularWeight: 477.5952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)COC2=CC=CC3=C2C=CN=C3NCC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)COC2=CC=CC3=C2C=CN=C3NCC4=CC=C(C=C4)OC

InChI

InChI=1S/C28H35N3O4/c1-28(2,3)35-27(32)31-16-6-7-21(18-31)19-34-25-9-5-8-24-23(25)14-15-29-26(24)30-17-20-10-12-22(33-4)13-11-20/h5,8-15,21H,6-7,16-19H2,1-4H3,(H,29,30)