[(2S)-4-methyl-1-oxidanylidene-1-phenylmethoxy-pentan-2-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: [(2S)-4-methyl-1-oxidanylidene-1-phenylmethoxy-pentan-2-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: [(1S)-1-benzyloxycarbonyl-3-methyl-butyl] 3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3,4-dihydro-1H-isoquinoline-2-carboxylic acid [(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl] ester IUPAC Name: [(2S)-4-methyl-1-oxo-1-phenylmethoxypentan-2-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3,4-dihydro-1H-isoquinoline-2-carboxylic acid [(1S)-1-carbobenzoxy-3-methyl-butyl] ester Formula: C23H27NO4 MolecularWeight: 381.46478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=CC=C1)OC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)OC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C23H27NO4/c1-17(2)14-21(22(25)27-16-18-8-4-3-5-9-18)28-23(26)24-13-12-19-10-6-7-11-20(19)15-24/h3-11,17,21H,12-16H2,1-2H3/t21-/m0/s1