ethyl 4-[5-[2-(3-methoxy-2,4-dimethyl-phenyl)ethanoylamino]-1-oxidanylidene-isoquinolin-2-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[5-[2-(3-methoxy-2,4-dimethyl-phenyl)ethanoylamino]-1-oxidanylidene-isoquinolin-2-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[5-[[2-(3-methoxy-2,4-dimethyl-phenyl)acetyl]amino]-1-oxo-2-isoquinolyl]piperidine-1-carboxylate CAS Name: 4-[5-[[2-(3-methoxy-2,4-dimethylphenyl)-1-oxoethyl]amino]-1-oxo-2-isoquinolinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-[[2-(3-methoxy-2,4-dimethylphenyl)acetyl]amino]-1-oxoisoquinolin-2-yl]piperidine-1-carboxylate Traditional Name: 4-[1-keto-5-[[2-(3-methoxy-2,4-dimethyl-phenyl)acetyl]amino]-2-isoquinolyl]piperidine-1-carboxylic acid ethyl ester Formula: C28H33N3O5 MolecularWeight: 491.57872

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=C4)C)OC)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C=CC3=C(C2=O)C=CC=C3NC(=O)CC4=C(C(=C(C=C4)C)OC)C

InChI

InChI=1S/C28H33N3O5/c1-5-36-28(34)30-14-11-21(12-15-30)31-16-13-22-23(27(31)33)7-6-8-24(22)29-25(32)17-20-10-9-18(2)26(35-4)19(20)3/h6-10,13,16,21H,5,11-12,14-15,17H2,1-4H3,(H,29,32)