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

Systemtic Name: methyl 4-[methyl-[(1S)-2-[(3S)-3-oxidanylpyrrolidin-1-yl]-1-phenyl-ethyl]amino]benzoate Openeye Name: methyl 4-[[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenyl-ethyl]-methyl-amino]benzoate CAS Name: 4-[[(1S)-2-[(3S)-3-hydroxy-1-pyrrolidinyl]-1-phenylethyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-methylamino]benzoate Traditional Name: 4-[[(1S)-2-[(3S)-3-hydroxypyrrolidino]-1-phenyl-ethyl]-methyl-amino]benzoic acid methyl ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-22(18-10-8-17(9-11-18)21(25)26-2)20(16-6-4-3-5-7-16)15-23-13-12-19(24)14-23/h3-11,19-20,24H,12-15H2,1-2H3/t19-,20+/m0/s1