3-cyano-N-[(2S)-2-(3,4-dichlorophenyl)-4-oxidanyl-butyl]-2-methoxy-benzamide

Systemtic Name: 3-cyano-N-[(2S)-2-(3,4-dichlorophenyl)-4-oxidanyl-butyl]-2-methoxy-benzamide Openeye Name: 3-cyano-N-[(2S)-2-(3,4-dichlorophenyl)-4-hydroxy-butyl]-2-methoxy-benzamide CAS Name: 3-cyano-N-[(2S)-2-(3,4-dichlorophenyl)-4-hydroxybutyl]-2-methoxybenzamide IUPAC Name: 3-cyano-N-[(2S)-2-(3,4-dichlorophenyl)-4-hydroxybutyl]-2-methoxybenzamide Traditional Name: 3-cyano-N-[(2S)-2-(3,4-dichlorophenyl)-4-hydroxy-butyl]-2-methoxy-benzamide Formula: C19H18Cl2N2O3 MolecularWeight: 393.26382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=C1C(=O)NCC(CCO)C2=CC(=C(C=C2)Cl)Cl)C#N

Isomeric SMILES

COC1=C(C=CC=C1C(=O)NC[C@@H](CCO)C2=CC(=C(C=C2)Cl)Cl)C#N

InChI

InChI=1S/C19H18Cl2N2O3/c1-26-18-13(10-22)3-2-4-15(18)19(25)23-11-14(7-8-24)12-5-6-16(20)17(21)9-12/h2-6,9,14,24H,7-8,11H2,1H3,(H,23,25)/t14-/m1/s1