(2S)-N-(4-tert-butylphenyl)-2-[[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-methyl-amino]propanamide

Systemtic Name: (2S)-N-(4-tert-butylphenyl)-2-[[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-methyl-amino]propanamide Openeye Name: (2S)-N-(4-tert-butylphenyl)-2-[[2-(2-furylmethylamino)-2-oxo-ethyl]-methyl-amino]propanamide CAS Name: (2S)-N-(4-tert-butylphenyl)-2-[[2-(2-furanylmethylamino)-2-oxoethyl]-methylamino]propanamide IUPAC Name: (2S)-N-(4-tert-butylphenyl)-2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]propanamide Traditional Name: (2S)-N-(4-tert-butylphenyl)-2-[[2-(2-furfurylamino)-2-keto-ethyl]-methyl-amino]propionamide Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)N(C)CC(=O)NCC2=CC=CO2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)(C)C)N(C)CC(=O)NCC2=CC=CO2

InChI

InChI=1S/C21H29N3O3/c1-15(24(5)14-19(25)22-13-18-7-6-12-27-18)20(26)23-17-10-8-16(9-11-17)21(2,3)4/h6-12,15H,13-14H2,1-5H3,(H,22,25)(H,23,26)/t15-/m0/s1