3-methyl-1-[3-methyl-2-oxidanyl-4-(5-pyridin-3-yloxypentoxy)phenyl]butan-1-one

Systemtic Name: 3-methyl-1-[3-methyl-2-oxidanyl-4-(5-pyridin-3-yloxypentoxy)phenyl]butan-1-one Openeye Name: 1-[2-hydroxy-3-methyl-4-[5-(3-pyridyloxy)pentoxy]phenyl]-3-methyl-butan-1-one CAS Name: 1-[2-hydroxy-3-methyl-4-[5-(3-pyridinyloxy)pentoxy]phenyl]-3-methyl-1-butanone IUPAC Name: 1-[2-hydroxy-3-methyl-4-(5-pyridin-3-yloxypentoxy)phenyl]-3-methylbutan-1-one Traditional Name: 1-[2-hydroxy-3-methyl-4-[5-(3-pyridyloxy)pentoxy]phenyl]-3-methyl-butan-1-one Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCCOC2=CN=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1O)C(=O)CC(C)C)OCCCCCOC2=CN=CC=C2

InChI

InChI=1S/C22H29NO4/c1-16(2)14-20(24)19-9-10-21(17(3)22(19)25)27-13-6-4-5-12-26-18-8-7-11-23-15-18/h7-11,15-16,25H,4-6,12-14H2,1-3H3