1-[4-[[2-azanyl-2-(hydroxymethyl)butoxy]methyl]-3-chloranyl-phenyl]-4-phenyl-butan-1-one

Systemtic Name: 1-[4-[[2-azanyl-2-(hydroxymethyl)butoxy]methyl]-3-chloranyl-phenyl]-4-phenyl-butan-1-one Openeye Name: 1-[4-[[2-amino-2-(hydroxymethyl)butoxy]methyl]-3-chloro-phenyl]-4-phenyl-butan-1-one CAS Name: 1-[4-[[2-amino-2-(hydroxymethyl)butoxy]methyl]-3-chlorophenyl]-4-phenyl-1-butanone IUPAC Name: 1-[4-[[2-amino-2-(hydroxymethyl)butoxy]methyl]-3-chlorophenyl]-4-phenylbutan-1-one Traditional Name: 1-[4-[(2-amino-2-methylol-butoxy)methyl]-3-chloro-phenyl]-4-phenyl-butan-1-one Formula: C22H28ClNO3 MolecularWeight: 389.91562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(COCC1=C(C=C(C=C1)C(=O)CCCC2=CC=CC=C2)Cl)N

Isomeric SMILES

CCC(CO)(COCC1=C(C=C(C=C1)C(=O)CCCC2=CC=CC=C2)Cl)N

InChI

InChI=1S/C22H28ClNO3/c1-2-22(24,15-25)16-27-14-19-12-11-18(13-20(19)23)21(26)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,11-13,25H,2,6,9-10,14-16,24H2,1H3