(phenylmethyl) N-[(2S)-1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl]carbamic acid benzyl ester Formula: C24H30N2O5 MolecularWeight: 426.5054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)C(C)NC(=O)OCC3=CC=CC=C3)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)[C@H](C)NC(=O)OCC3=CC=CC=C3)OCC

InChI

InChI=1S/C24H30N2O5/c1-4-29-21-13-19-11-12-26(15-20(19)14-22(21)30-5-2)23(27)17(3)25-24(28)31-16-18-9-7-6-8-10-18/h6-10,13-14,17H,4-5,11-12,15-16H2,1-3H3,(H,25,28)/t17-/m0/s1