methyl 4-[[(1S)-2-[(3S)-3-fluoranylpyrrolidin-1-yl]-1-phenyl-ethyl]-methyl-amino]benzoate

Systemtic Name: methyl 4-[[(1S)-2-[(3S)-3-fluoranylpyrrolidin-1-yl]-1-phenyl-ethyl]-methyl-amino]benzoate Openeye Name: methyl 4-[[(1S)-2-[(3S)-3-fluoropyrrolidin-1-yl]-1-phenyl-ethyl]-methyl-amino]benzoate CAS Name: 4-[[(1S)-2-[(3S)-3-fluoro-1-pyrrolidinyl]-1-phenylethyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1S)-2-[(3S)-3-fluoropyrrolidin-1-yl]-1-phenylethyl]-methylamino]benzoate Traditional Name: 4-[[(1S)-2-[(3S)-3-fluoropyrrolidino]-1-phenyl-ethyl]-methyl-amino]benzoic acid methyl ester Formula: C21H25FN2O2 MolecularWeight: 356.433803

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=O)OC)C(CN2CCC(C2)F)C3=CC=CC=C3

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=O)OC)[C@H](CN2CC[C@@H](C2)F)C3=CC=CC=C3

InChI

InChI=1S/C21H25FN2O2/c1-23(19-10-8-17(9-11-19)21(25)26-2)20(16-6-4-3-5-7-16)15-24-13-12-18(22)14-24/h3-11,18,20H,12-15H2,1-2H3/t18-,20+/m0/s1