tert-butyl 3-[2-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl]-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-[2-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl]-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-[2-[(E)-3-methoxy-3-oxo-prop-1-enyl]phenyl]-1H-isoquinoline-2-carboxylate CAS Name: 3-[2-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]-1H-isoquinoline-2-carboxylate Traditional Name: 3-[2-[(E)-3-keto-3-methoxy-prop-1-enyl]phenyl]-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C24H25NO4 MolecularWeight: 391.4596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C=C1C3=CC=CC=C3C=CC(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2C=C1C3=CC=CC=C3/C=C/C(=O)OC

InChI

InChI=1S/C24H25NO4/c1-24(2,3)29-23(27)25-16-19-11-6-5-10-18(19)15-21(25)20-12-8-7-9-17(20)13-14-22(26)28-4/h5-15H,16H2,1-4H3/b14-13+