methyl 2-[(2S)-1-[(3S)-1-phenylhept-1-yn-3-yl]pyrrolidin-2-yl]ethanoate

Systemtic Name: methyl 2-[(2S)-1-[(3S)-1-phenylhept-1-yn-3-yl]pyrrolidin-2-yl]ethanoate Openeye Name: methyl 2-[(2S)-1-[(1S)-1-(2-phenylethynyl)pentyl]pyrrolidin-2-yl]acetate CAS Name: 2-[(2S)-1-[(3S)-1-phenylhept-1-yn-3-yl]-2-pyrrolidinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-1-[(3S)-1-phenylhept-1-yn-3-yl]pyrrolidin-2-yl]acetate Traditional Name: 2-[(2S)-1-[(1S)-1-butyl-3-phenyl-prop-2-ynyl]pyrrolidin-2-yl]acetic acid methyl ester Formula: C20H27NO2 MolecularWeight: 313.43388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C#CC1=CC=CC=C1)N2CCCC2CC(=O)OC

Isomeric SMILES

CCCC[C@@H](C#CC1=CC=CC=C1)N2CCC[C@H]2CC(=O)OC

InChI

InChI=1S/C20H27NO2/c1-3-4-11-18(14-13-17-9-6-5-7-10-17)21-15-8-12-19(21)16-20(22)23-2/h5-7,9-10,18-19H,3-4,8,11-12,15-16H2,1-2H3/t18-,19-/m0/s1