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

Systemtic Name: (phenylmethyl) N-[(2S,3S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: benzyl N-[(1S,2S)-1-(1,3-benzodioxol-5-ylmethylcarbamoyl)-2-methyl-butyl]carbamate CAS Name: N-[(2S,3S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S,3S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S,2S)-2-methyl-1-(piperonylcarbamoyl)butyl]carbamic acid benzyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5/c1-3-15(2)20(24-22(26)27-13-16-7-5-4-6-8-16)21(25)23-12-17-9-10-18-19(11-17)29-14-28-18/h4-11,15,20H,3,12-14H2,1-2H3,(H,23,25)(H,24,26)/t15-,20-/m0/s1