tert-butyl 1-[2-(dimethylamino)-1-methoxy-4-oxidanylidene-3-phenyl-cyclobut-2-en-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 1-[2-(dimethylamino)-1-methoxy-4-oxidanylidene-3-phenyl-cyclobut-2-en-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 1-[2-(dimethylamino)-1-methoxy-4-oxo-3-phenyl-cyclobut-2-en-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[2-(dimethylamino)-1-methoxy-4-oxo-3-phenyl-1-cyclobut-2-enyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-(dimethylamino)-1-methoxy-4-oxo-3-phenylcyclobut-2-en-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-[2-(dimethylamino)-4-keto-1-methoxy-3-phenyl-cyclobut-2-en-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=CC=CC=C2C1C3(C(=C(C3=O)C4=CC=CC=C4)N(C)C)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=CC=CC=C2C1C3(C(=C(C3=O)C4=CC=CC=C4)N(C)C)OC

InChI

InChI=1S/C27H32N2O4/c1-26(2,3)33-25(31)29-17-16-18-12-10-11-15-20(18)22(29)27(32-6)23(28(4)5)21(24(27)30)19-13-8-7-9-14-19/h7-15,22H,16-17H2,1-6H3