ethyl 2-[2-[(3S)-1-(4-butylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]benzimidazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[2-[(3S)-1-(4-butylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]benzimidazol-1-yl]ethanoate Openeye Name: ethyl 2-[2-[(3S)-1-(4-butylphenyl)-5-oxo-pyrrolidin-3-yl]benzimidazol-1-yl]acetate CAS Name: 2-[2-[(3S)-1-(4-butylphenyl)-5-oxo-3-pyrrolidinyl]-1-benzimidazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(3S)-1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate Traditional Name: 2-[2-[(3S)-1-(4-butylphenyl)-5-keto-pyrrolidin-3-yl]benzimidazol-1-yl]acetic acid ethyl ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2CC(CC2=O)C3=NC4=CC=CC=C4N3CC(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C[C@H](CC2=O)C3=NC4=CC=CC=C4N3CC(=O)OCC

InChI

InChI=1S/C25H29N3O3/c1-3-5-8-18-11-13-20(14-12-18)27-16-19(15-23(27)29)25-26-21-9-6-7-10-22(21)28(25)17-24(30)31-4-2/h6-7,9-14,19H,3-5,8,15-17H2,1-2H3/t19-/m0/s1