(phenylmethyl) N-[(2S,3R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-3-phenylmethoxy-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S,3R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-3-phenylmethoxy-butan-2-yl]carbamate Openeye Name: benzyl N-[(1S,2R)-1-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-benzyloxy-propyl]carbamate CAS Name: N-[(2S,3R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxo-3-phenylmethoxybutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S,3R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxo-3-phenylmethoxybutan-2-yl]carbamate Traditional Name: N-[(1S,2R)-2-benzoxy-1-(piperonylcarbamoyl)propyl]carbamic acid benzyl ester Formula: C27H28N2O6 MolecularWeight: 476.52102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C[C@H]([C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O6/c1-19(32-16-20-8-4-2-5-9-20)25(29-27(31)33-17-21-10-6-3-7-11-21)26(30)28-15-22-12-13-23-24(14-22)35-18-34-23/h2-14,19,25H,15-18H2,1H3,(H,28,30)(H,29,31)/t19-,25+/m1/s1