tert-butyl (3S)-3-(1-phenylethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3S)-3-(1-phenylethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-(1-phenylethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[oxo-(1-phenylethylamino)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(1-phenylethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-(1-phenylethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C

InChI

InChI=1S/C23H28N2O3/c1-16(17-10-6-5-7-11-17)24-21(26)20-14-18-12-8-9-13-19(18)15-25(20)22(27)28-23(2,3)4/h5-13,16,20H,14-15H2,1-4H3,(H,24,26)/t16?,20-/m0/s1