N-(1,3-benzodioxol-5-ylmethyl)-2-[[(2R)-3-methyl-2-(2-phenylethanoylamino)butanoyl]amino]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(2R)-3-methyl-2-(2-phenylethanoylamino)butanoyl]amino]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(2R)-3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(2R)-3-methyl-1-oxo-2-[(1-oxo-2-phenylethyl)amino]butyl]amino]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(2R)-3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]benzamide Traditional Name: 2-[[(2R)-3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]-N-piperonyl-benzamide Formula: C28H29N3O5 MolecularWeight: 487.54696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=CC=C1C(=O)NCC2=CC3=C(C=C2)OCO3)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CC(C)[C@H](C(=O)NC1=CC=CC=C1C(=O)NCC2=CC3=C(C=C2)OCO3)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O5/c1-18(2)26(31-25(32)15-19-8-4-3-5-9-19)28(34)30-22-11-7-6-10-21(22)27(33)29-16-20-12-13-23-24(14-20)36-17-35-23/h3-14,18,26H,15-17H2,1-2H3,(H,29,33)(H,30,34)(H,31,32)/t26-/m1/s1