(2S)-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-piperonyl-butyramide Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O5/c1-14(2)20(23-19(24)12-26-16-6-4-3-5-7-16)21(25)22-11-15-8-9-17-18(10-15)28-13-27-17/h3-10,14,20H,11-13H2,1-2H3,(H,22,25)(H,23,24)/t20-/m0/s1