ethyl 4-[1-oxidanylidene-5-[2-(2,4,6-trimethylphenyl)ethanoylamino]isoquinolin-2-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[1-oxidanylidene-5-[2-(2,4,6-trimethylphenyl)ethanoylamino]isoquinolin-2-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[1-oxo-5-[[2-(2,4,6-trimethylphenyl)acetyl]amino]-2-isoquinolyl]piperidine-1-carboxylate CAS Name: 4-[1-oxo-5-[[1-oxo-2-(2,4,6-trimethylphenyl)ethyl]amino]-2-isoquinolinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-oxo-5-[[2-(2,4,6-trimethylphenyl)acetyl]amino]isoquinolin-2-yl]piperidine-1-carboxylate Traditional Name: 4-[1-keto-5-[(2-mesitylacetyl)amino]-2-isoquinolyl]piperidine-1-carboxylic acid ethyl ester Formula: C28H33N3O4 MolecularWeight: 475.57932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C=CC3=C(C2=O)C=CC=C3NC(=O)CC4=C(C=C(C=C4C)C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C=CC3=C(C2=O)C=CC=C3NC(=O)CC4=C(C=C(C=C4C)C)C

InChI

InChI=1S/C28H33N3O4/c1-5-35-28(34)30-12-9-21(10-13-30)31-14-11-22-23(27(31)33)7-6-8-25(22)29-26(32)17-24-19(3)15-18(2)16-20(24)4/h6-8,11,14-16,21H,5,9-10,12-13,17H2,1-4H3,(H,29,32)