ethyl 2-chloranyl-4-[[4-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]carbonylamino]benzoate

Systemtic Name: ethyl 2-chloranyl-4-[[4-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]carbonylamino]benzoate Openeye Name: ethyl 2-chloro-4-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoate CAS Name: 2-chloro-4-[[oxo-[4-[(2-oxo-1-pyrrolidinyl)methyl]phenyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-4-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoate Traditional Name: 2-chloro-4-[[4-[(2-ketopyrrolidino)methyl]benzoyl]amino]benzoic acid ethyl ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCCC3=O)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCCC3=O)Cl

InChI

InChI=1S/C21H21ClN2O4/c1-2-28-21(27)17-10-9-16(12-18(17)22)23-20(26)15-7-5-14(6-8-15)13-24-11-3-4-19(24)25/h5-10,12H,2-4,11,13H2,1H3,(H,23,26)