4-azanyl-1-[3-[5-methoxy-1-[2-(2-methylphenoxy)phenyl]-1-oxidanyl-pentyl]piperidin-1-yl]butan-1-one

Systemtic Name: 4-azanyl-1-[3-[5-methoxy-1-[2-(2-methylphenoxy)phenyl]-1-oxidanyl-pentyl]piperidin-1-yl]butan-1-one Openeye Name: 4-amino-1-[3-[1-hydroxy-5-methoxy-1-[2-(2-methylphenoxy)phenyl]pentyl]-1-piperidyl]butan-1-one CAS Name: 4-amino-1-[3-[1-hydroxy-5-methoxy-1-[2-(2-methylphenoxy)phenyl]pentyl]-1-piperidinyl]-1-butanone IUPAC Name: 4-amino-1-[3-[1-hydroxy-5-methoxy-1-[2-(2-methylphenoxy)phenyl]pentyl]piperidin-1-yl]butan-1-one Traditional Name: 4-amino-1-[3-[1-hydroxy-5-methoxy-1-[2-(2-methylphenoxy)phenyl]pentyl]piperidino]butan-1-one Formula: C28H40N2O4 MolecularWeight: 468.6282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=CC=CC=C2C(CCCCOC)(C3CCCN(C3)C(=O)CCCN)O

Isomeric SMILES

CC1=CC=CC=C1OC2=CC=CC=C2C(CCCCOC)(C3CCCN(C3)C(=O)CCCN)O

InChI

InChI=1S/C28H40N2O4/c1-22-11-3-5-14-25(22)34-26-15-6-4-13-24(26)28(32,17-7-8-20-33-2)23-12-10-19-30(21-23)27(31)16-9-18-29/h3-6,11,13-15,23,32H,7-10,12,16-21,29H2,1-2H3