methyl 4-[(E)-3-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[(2S)-2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidino]-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)N2CCCC2C3=NC4=CC=CC=C4N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H21N3O3/c1-28-22(27)16-11-8-15(9-12-16)10-13-20(26)25-14-4-7-19(25)21-23-17-5-2-3-6-18(17)24-21/h2-3,5-6,8-13,19H,4,7,14H2,1H3,(H,23,24)/b13-10+/t19-/m0/s1