pentyl 4-[[(3S)-1-(2-ethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate

Systemtic Name: pentyl 4-[[(3S)-1-(2-ethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: pentyl 4-[[(3S)-1-(2-ethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[(3S)-1-(2-ethylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-[[(3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[(3S)-1-(2-ethylphenyl)-5-keto-pyrrolidine-3-carbonyl]amino]benzoic acid amyl ester Formula: C25H30N2O4 MolecularWeight: 422.5167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)C3=CC=CC=C3CC

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2CC(=O)N(C2)C3=CC=CC=C3CC

InChI

InChI=1S/C25H30N2O4/c1-3-5-8-15-31-25(30)19-11-13-21(14-12-19)26-24(29)20-16-23(28)27(17-20)22-10-7-6-9-18(22)4-2/h6-7,9-14,20H,3-5,8,15-17H2,1-2H3,(H,26,29)/t20-/m0/s1