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

Systemtic Name: methyl 2-[[(3S)-1-(4-butoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[(3S)-1-(4-butoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoate CAS Name: 2-[[[(3S)-1-(4-butoxyphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(3S)-1-(4-butoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate Traditional Name: 2-[[(3S)-1-(4-butoxyphenyl)-5-keto-pyrrolidine-3-carbonyl]amino]benzoic acid methyl ester Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C23H26N2O5/c1-3-4-13-30-18-11-9-17(10-12-18)25-15-16(14-21(25)26)22(27)24-20-8-6-5-7-19(20)23(28)29-2/h5-12,16H,3-4,13-15H2,1-2H3,(H,24,27)/t16-/m0/s1