methyl 4-[[(3S)-1-(2,6-diethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[(3S)-1-(2,6-diethylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[(3S)-1-(2,6-diethylphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[(3S)-1-(2,6-diethylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3S)-1-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[(3S)-1-(2,6-diethylphenyl)-5-keto-pyrrolidine-3-carbonyl]amino]benzoic acid methyl ester Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C[C@H](CC2=O)C(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H26N2O4/c1-4-15-7-6-8-16(5-2)21(15)25-14-18(13-20(25)26)22(27)24-19-11-9-17(10-12-19)23(28)29-3/h6-12,18H,4-5,13-14H2,1-3H3,(H,24,27)/t18-/m0/s1