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

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-(2-naphthalen-1-ylethanoylamino)butanamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-[[2-(1-naphthyl)acetyl]amino]butanamide CAS Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-[[2-(1-naphthalenyl)-1-oxoethyl]amino]butanamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide Traditional Name: (2S)-3-methyl-2-[[2-(1-naphthyl)acetyl]amino]-N-piperonyl-butyramide Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H26N2O4/c1-16(2)24(25(29)26-14-17-10-11-21-22(12-17)31-15-30-21)27-23(28)13-19-8-5-7-18-6-3-4-9-20(18)19/h3-12,16,24H,13-15H2,1-2H3,(H,26,29)(H,27,28)/t24-/m0/s1