N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-(2-phenylethanoyl)amino]-2-methyl-butanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-(2-phenylethanoyl)amino]-2-methyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-methyl-butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-(1-oxo-2-phenylethyl)amino]-2-methylbutanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-methylbutanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(2-fluorobenzyl)-(2-phenylacetyl)amino]-2-methyl-butyramide Formula: C27H27FN2O4 MolecularWeight: 462.512683

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)NC1=CC2=C(C=C1)OCO2)N(CC3=CC=CC=C3F)C(=O)CC4=CC=CC=C4

Isomeric SMILES

CCC(C)(C(=O)NC1=CC2=C(C=C1)OCO2)N(CC3=CC=CC=C3F)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H27FN2O4/c1-3-27(2,26(32)29-21-13-14-23-24(16-21)34-18-33-23)30(17-20-11-7-8-12-22(20)28)25(31)15-19-9-5-4-6-10-19/h4-14,16H,3,15,17-18H2,1-2H3,(H,29,32)