[4-(2-imidazol-1-ylethoxy)-5-oxidanylidene-1-phenyl-pyrrolidin-3-yl] 2-methoxybenzoate

Systemtic Name: [4-(2-imidazol-1-ylethoxy)-5-oxidanylidene-1-phenyl-pyrrolidin-3-yl] 2-methoxybenzoate Openeye Name: [4-(2-imidazol-1-ylethoxy)-5-oxo-1-phenyl-pyrrolidin-3-yl] 2-methoxybenzoate CAS Name: 2-methoxybenzoic acid [4-[2-(1-imidazolyl)ethoxy]-5-oxo-1-phenyl-3-pyrrolidinyl] ester IUPAC Name: [4-(2-imidazol-1-ylethoxy)-5-oxo-1-phenylpyrrolidin-3-yl] 2-methoxybenzoate Traditional Name: 2-methoxybenzoic acid [4-(2-imidazol-1-ylethoxy)-5-keto-1-phenyl-pyrrolidin-3-yl] ester Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)OC2CN(C(=O)C2OCCN3C=CN=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C(=O)OC2CN(C(=O)C2OCCN3C=CN=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H23N3O5/c1-29-19-10-6-5-9-18(19)23(28)31-20-15-26(17-7-3-2-4-8-17)22(27)21(20)30-14-13-25-12-11-24-16-25/h2-12,16,20-21H,13-15H2,1H3