butyl 4-[[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]benzoate

Systemtic Name: butyl 4-[[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]benzoate Openeye Name: butyl 4-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]benzoate CAS Name: 4-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]benzoate Traditional Name: 4-[[2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]benzoic acid butyl ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NCC(=O)NC(C)C2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NCC(=O)N[C@H](C)C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O3/c1-3-4-14-26-21(25)18-10-12-19(13-11-18)22-15-20(24)23-16(2)17-8-6-5-7-9-17/h5-13,16,22H,3-4,14-15H2,1-2H3,(H,23,24)/t16-/m1/s1