tert-butyl N-(2-cyanophenyl)-N-[1-(dihexylamino)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-(2-cyanophenyl)-N-[1-(dihexylamino)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-(2-cyanophenyl)-N-[2-(dihexylamino)-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-(2-cyanophenyl)-N-[1-(dihexylamino)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(2-cyanophenyl)-N-[1-(dihexylamino)-1-oxopropan-2-yl]carbamate Traditional Name: N-(2-cyanophenyl)-N-[2-(dihexylamino)-2-keto-1-methyl-ethyl]carbamic acid tert-butyl ester Formula: C27H43N3O3 MolecularWeight: 457.64862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C(=O)C(C)N(C1=CC=CC=C1C#N)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCN(CCCCCC)C(=O)C(C)N(C1=CC=CC=C1C#N)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H43N3O3/c1-7-9-11-15-19-29(20-16-12-10-8-2)25(31)22(3)30(26(32)33-27(4,5)6)24-18-14-13-17-23(24)21-28/h13-14,17-18,22H,7-12,15-16,19-20H2,1-6H3