tert-butyl 3-phenyl-1-propyl-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-phenyl-1-propyl-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-phenyl-1-propyl-1H-isoquinoline-2-carboxylate CAS Name: 3-phenyl-1-propyl-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-phenyl-1-propyl-1H-isoquinoline-2-carboxylate Traditional Name: 3-phenyl-1-propyl-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C23H27NO2 MolecularWeight: 349.46598

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C2=CC=CC=C2C=C(N1C(=O)OC(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CCCC1C2=CC=CC=C2C=C(N1C(=O)OC(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C23H27NO2/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/h6-10,12-16,20H,5,11H2,1-4H3