methyl 3-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]carbamoylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]carbamoylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]carbamoylamino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-oxomethyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]carbamoylamino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]carbamoylamino]-4-pyrrolidino-benzoic acid methyl ester Formula: C23H29FN4O3 MolecularWeight: 428.499763

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)NC1=C(C=CC(=C1)C(=O)OC)N2CCCC2)C3=CC=C(C=C3)F

Isomeric SMILES

CN(C)C(CNC(=O)NC1=C(C=CC(=C1)C(=O)OC)N2CCCC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H29FN4O3/c1-27(2)21(16-6-9-18(24)10-7-16)15-25-23(30)26-19-14-17(22(29)31-3)8-11-20(19)28-12-4-5-13-28/h6-11,14,21H,4-5,12-13,15H2,1-3H3,(H2,25,26,30)