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

Systemtic Name: tert-butyl 1-butyl-3-phenyl-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 1-butyl-3-phenyl-1H-isoquinoline-2-carboxylate CAS Name: 1-butyl-3-phenyl-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-butyl-3-phenyl-1H-isoquinoline-2-carboxylate Traditional Name: 1-butyl-3-phenyl-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C24H29NO2 MolecularWeight: 363.49256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=CC=CC=C2C=C(N1C(=O)OC(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CCCCC1C2=CC=CC=C2C=C(N1C(=O)OC(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C24H29NO2/c1-5-6-16-21-20-15-11-10-14-19(20)17-22(18-12-8-7-9-13-18)25(21)23(26)27-24(2,3)4/h7-15,17,21H,5-6,16H2,1-4H3