tert-butyl 3-phenyl-1-prop-2-enyl-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-phenyl-1-prop-2-enyl-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 1-allyl-3-phenyl-1H-isoquinoline-2-carboxylate CAS Name: 3-phenyl-1-prop-2-enyl-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-phenyl-1-prop-2-enyl-1H-isoquinoline-2-carboxylate Traditional Name: 1-allyl-3-phenyl-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C23H25NO2 MolecularWeight: 347.4501

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(C2=CC=CC=C2C=C1C3=CC=CC=C3)CC=C

Isomeric SMILES

CC(C)(C)OC(=O)N1C(C2=CC=CC=C2C=C1C3=CC=CC=C3)CC=C

InChI

InChI=1S/C23H25NO2/c1-5-11-20-19-15-10-9-14-18(19)16-21(17-12-7-6-8-13-17)24(20)22(25)26-23(2,3)4/h5-10,12-16,20H,1,11H2,2-4H3