1-[4-[3-azanyl-3-(hydroxymethyl)-4-oxidanyl-butyl]phenyl]-5-cyclohexyl-pentan-1-one

Systemtic Name: 1-[4-[3-azanyl-3-(hydroxymethyl)-4-oxidanyl-butyl]phenyl]-5-cyclohexyl-pentan-1-one Openeye Name: 1-[4-[3-amino-4-hydroxy-3-(hydroxymethyl)butyl]phenyl]-5-cyclohexyl-pentan-1-one CAS Name: 1-[4-[3-amino-4-hydroxy-3-(hydroxymethyl)butyl]phenyl]-5-cyclohexyl-1-pentanone IUPAC Name: 1-[4-[3-amino-4-hydroxy-3-(hydroxymethyl)butyl]phenyl]-5-cyclohexylpentan-1-one Traditional Name: 1-[4-(3-amino-4-hydroxy-3-methylol-butyl)phenyl]-5-cyclohexyl-pentan-1-one Formula: C22H35NO3 MolecularWeight: 361.5182

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCCC(=O)C2=CC=C(C=C2)CCC(CO)(CO)N

Isomeric SMILES

C1CCC(CC1)CCCCC(=O)C2=CC=C(C=C2)CCC(CO)(CO)N

InChI

InChI=1S/C22H35NO3/c23-22(16-24,17-25)15-14-19-10-12-20(13-11-19)21(26)9-5-4-8-18-6-2-1-3-7-18/h10-13,18,24-25H,1-9,14-17,23H2