1-[4-[3-[4-[(2R)-2-azanyl-3-oxidanyl-propanoyl]piperazin-1-yl]propoxy]phenyl]hexan-1-one

Systemtic Name: 1-[4-[3-[4-[(2R)-2-azanyl-3-oxidanyl-propanoyl]piperazin-1-yl]propoxy]phenyl]hexan-1-one Openeye Name: 1-[4-[3-[4-[(2R)-2-amino-3-hydroxy-propanoyl]piperazin-1-yl]propoxy]phenyl]hexan-1-one CAS Name: 1-[4-[3-[4-[(2R)-2-amino-3-hydroxy-1-oxopropyl]-1-piperazinyl]propoxy]phenyl]-1-hexanone IUPAC Name: 1-[4-[3-[4-[(2R)-2-amino-3-hydroxypropanoyl]piperazin-1-yl]propoxy]phenyl]hexan-1-one Traditional Name: 1-[4-[3-[4-[(2R)-2-amino-3-hydroxy-propanoyl]piperazino]propoxy]phenyl]hexan-1-one Formula: C22H35N3O4 MolecularWeight: 405.531

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC=C(C=C1)OCCCN2CCN(CC2)C(=O)C(CO)N

Isomeric SMILES

CCCCCC(=O)C1=CC=C(C=C1)OCCCN2CCN(CC2)C(=O)[C@@H](CO)N

InChI

InChI=1S/C22H35N3O4/c1-2-3-4-6-21(27)18-7-9-19(10-8-18)29-16-5-11-24-12-14-25(15-13-24)22(28)20(23)17-26/h7-10,20,26H,2-6,11-17,23H2,1H3/t20-/m1/s1