3-[(1S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenyl-prop-2-ynyl]benzaldehyde

Systemtic Name: 3-[(1S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenyl-prop-2-ynyl]benzaldehyde Openeye Name: 3-[(1S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenyl-prop-2-ynyl]benzaldehyde CAS Name: 3-[(1S)-1-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-3-phenylprop-2-ynyl]benzaldehyde IUPAC Name: 3-[(1S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylprop-2-ynyl]benzaldehyde Traditional Name: 3-[(1S)-1-[(2S)-2-methylolpyrrolidino]-3-phenyl-prop-2-ynyl]benzaldehyde Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C#CC2=CC=CC=C2)C3=CC=CC(=C3)C=O)CO

Isomeric SMILES

C1C[C@H](N(C1)[C@H](C#CC2=CC=CC=C2)C3=CC=CC(=C3)C=O)CO

InChI

InChI=1S/C21H21NO2/c23-15-18-8-4-9-19(14-18)21(22-13-5-10-20(22)16-24)12-11-17-6-2-1-3-7-17/h1-4,6-9,14-15,20-21,24H,5,10,13,16H2/t20-,21+/m0/s1