ethyl 2-[bis[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-1-butyl-aziridine-2-carboxylate

Systemtic Name: ethyl 2-[bis[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-1-butyl-aziridine-2-carboxylate Openeye Name: ethyl 2-[bis[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-1-butyl-aziridine-2-carboxylate CAS Name: 2-[[bis[[4-(trifluoromethyl)phenyl]methyl]amino]-oxomethyl]-1-butyl-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[bis[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]-1-butylaziridine-2-carboxylate Traditional Name: 2-[bis[4-(trifluoromethyl)benzyl]carbamoyl]-1-butyl-ethylenimine-2-carboxylic acid ethyl ester Formula: C26H28F6N2O3 MolecularWeight: 530.502539

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC1(C(=O)N(CC2=CC=C(C=C2)C(F)(F)F)CC3=CC=C(C=C3)C(F)(F)F)C(=O)OCC

Isomeric SMILES

CCCCN1CC1(C(=O)N(CC2=CC=C(C=C2)C(F)(F)F)CC3=CC=C(C=C3)C(F)(F)F)C(=O)OCC

InChI

InChI=1S/C26H28F6N2O3/c1-3-5-14-34-17-24(34,23(36)37-4-2)22(35)33(15-18-6-10-20(11-7-18)25(27,28)29)16-19-8-12-21(13-9-19)26(30,31)32/h6-13H,3-5,14-17H2,1-2H3