(phenylmethyl) N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-(1,3-benzodioxol-5-ylcarbamoyl)-2-methyl-propyl]carbamate CAS Name: N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-(1,3-benzodioxol-5-ylcarbamoyl)-2-methyl-propyl]carbamic acid benzyl ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O5/c1-13(2)18(22-20(24)25-11-14-6-4-3-5-7-14)19(23)21-15-8-9-16-17(10-15)27-12-26-16/h3-10,13,18H,11-12H2,1-2H3,(H,21,23)(H,22,24)/t18-/m0/s1