2-chloranyl-6-[(2R)-3-[(2S)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 2-chloranyl-6-[(2R)-3-[(2S)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 2-chloro-6-[(2R)-2-hydroxy-3-[(2S)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]propoxy]benzonitrile CAS Name: 2-chloro-6-[(2R)-2-hydroxy-3-[(2S)-2-[(4-methoxyphenyl)methyl]-1-pyrrolidinyl]propoxy]benzonitrile IUPAC Name: 2-chloro-6-[(2R)-2-hydroxy-3-[(2S)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]propoxy]benzonitrile Traditional Name: 2-chloro-6-[(2R)-2-hydroxy-3-[(2S)-2-p-anisylpyrrolidino]propoxy]benzonitrile Formula: C22H25ClN2O3 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2CCCN2CC(COC3=C(C(=CC=C3)Cl)C#N)O

Isomeric SMILES

COC1=CC=C(C=C1)C[C@@H]2CCCN2C[C@H](COC3=C(C(=CC=C3)Cl)C#N)O

InChI

InChI=1S/C22H25ClN2O3/c1-27-19-9-7-16(8-10-19)12-17-4-3-11-25(17)14-18(26)15-28-22-6-2-5-21(23)20(22)13-24/h2,5-10,17-18,26H,3-4,11-12,14-15H2,1H3/t17-,18+/m0/s1