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

Systemtic Name: [1-[4-(imidazol-1-ylmethyl)phenyl]-5-oxidanylidene-pyrrolidin-3-yl] 2-methoxybenzoate Openeye Name: [1-[4-(imidazol-1-ylmethyl)phenyl]-5-oxo-pyrrolidin-3-yl] 2-methoxybenzoate CAS Name: 2-methoxybenzoic acid [1-[4-(1-imidazolylmethyl)phenyl]-5-oxo-3-pyrrolidinyl] ester IUPAC Name: [1-[4-(imidazol-1-ylmethyl)phenyl]-5-oxopyrrolidin-3-yl] 2-methoxybenzoate Traditional Name: 2-methoxybenzoic acid [1-[4-(imidazol-1-ylmethyl)phenyl]-5-keto-pyrrolidin-3-yl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)OC2CC(=O)N(C2)C3=CC=C(C=C3)CN4C=CN=C4

Isomeric SMILES

COC1=CC=CC=C1C(=O)OC2CC(=O)N(C2)C3=CC=C(C=C3)CN4C=CN=C4

InChI

InChI=1S/C22H21N3O4/c1-28-20-5-3-2-4-19(20)22(27)29-18-12-21(26)25(14-18)17-8-6-16(7-9-17)13-24-11-10-23-15-24/h2-11,15,18H,12-14H2,1H3