tert-butyl N-[2-[3-(dimethylaminomethyl)-6-methoxy-1-oxidanylidene-4-phenyl-isoquinolin-2-yl]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[3-(dimethylaminomethyl)-6-methoxy-1-oxidanylidene-4-phenyl-isoquinolin-2-yl]ethyl]carbamate Openeye Name: tert-butyl N-[2-[3-(dimethylaminomethyl)-6-methoxy-1-oxo-4-phenyl-2-isoquinolyl]ethyl]carbamate CAS Name: N-[2-[3-(dimethylaminomethyl)-6-methoxy-1-oxo-4-phenyl-2-isoquinolinyl]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[3-(dimethylaminomethyl)-6-methoxy-1-oxo-4-phenylisoquinolin-2-yl]ethyl]carbamate Traditional Name: N-[2-[3-(dimethylaminomethyl)-1-keto-6-methoxy-4-phenyl-2-isoquinolyl]ethyl]carbamic acid tert-butyl ester Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC=CC=C3)CN(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NCCN1C(=C(C2=C(C1=O)C=CC(=C2)OC)C3=CC=CC=C3)CN(C)C

InChI

InChI=1S/C26H33N3O4/c1-26(2,3)33-25(31)27-14-15-29-22(17-28(4)5)23(18-10-8-7-9-11-18)21-16-19(32-6)12-13-20(21)24(29)30/h7-13,16H,14-15,17H2,1-6H3,(H,27,31)