[(2S)-1-[(4-butoxycarbonylphenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[(4-butoxycarbonylphenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-(4-butoxycarbonylanilino)-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[4-[butoxy(oxo)methyl]anilino]-1-oxo-3-phenylpropan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-butoxycarbonylanilino)-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-(4-butoxycarbonylanilino)-2-keto-ethyl]ammonium Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)[NH3+]

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H](CC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C20H24N2O3/c1-2-3-13-25-20(24)16-9-11-17(12-10-16)22-19(23)18(21)14-15-7-5-4-6-8-15/h4-12,18H,2-3,13-14,21H2,1H3,(H,22,23)/p+1/t18-/m0/s1