[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(butylamino)benzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC=C1C(=O)OCC(=O)NC(C)C2=CC=CC=C2

Isomeric SMILES

CCCCNC1=CC=CC=C1C(=O)OCC(=O)N[C@@H](C)C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O3/c1-3-4-14-22-19-13-9-8-12-18(19)21(25)26-15-20(24)23-16(2)17-10-6-5-7-11-17/h5-13,16,22H,3-4,14-15H2,1-2H3,(H,23,24)/t16-/m0/s1