2-methylpropyl N'-(3-fluorophenyl)carbonyl-N-phenethyl-N-(phenylmethyl)carbamimidate

Systemtic Name: 2-methylpropyl N'-(3-fluorophenyl)carbonyl-N-phenethyl-N-(phenylmethyl)carbamimidate Openeye Name: N-[[benzyl(phenethyl)amino]-isobutoxy-methylene]-3-fluoro-benzamide CAS Name: N'-[(3-fluorophenyl)-oxomethyl]-N-phenethyl-N-(phenylmethyl)carbamimidic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl N-benzyl-N'-(3-fluorobenzoyl)-N-phenethylcarbamimidate Traditional Name: N-[[benzyl(phenethyl)amino]-isobutoxy-methylene]-3-fluoro-benzamide Formula: C27H29FN2O2 MolecularWeight: 432.529763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=NC(=O)C1=CC(=CC=C1)F)N(CCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)COC(=NC(=O)C1=CC(=CC=C1)F)N(CCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C27H29FN2O2/c1-21(2)20-32-27(29-26(31)24-14-9-15-25(28)18-24)30(19-23-12-7-4-8-13-23)17-16-22-10-5-3-6-11-22/h3-15,18,21H,16-17,19-20H2,1-2H3