1-[2-oxidanyl-9-[4-(2-piperidin-1-ylethoxy)phenyl]-7H-phenanthren-2-yl]ethanone

Systemtic Name: 1-[2-oxidanyl-9-[4-(2-piperidin-1-ylethoxy)phenyl]-7H-phenanthren-2-yl]ethanone Openeye Name: 1-[2-hydroxy-9-[4-[2-(1-piperidyl)ethoxy]phenyl]-7H-phenanthren-2-yl]ethanone CAS Name: 1-[2-hydroxy-9-[4-[2-(1-piperidinyl)ethoxy]phenyl]-7H-phenanthren-2-yl]ethanone IUPAC Name: 1-[2-hydroxy-9-[4-(2-piperidin-1-ylethoxy)phenyl]-7H-phenanthren-2-yl]ethanone Traditional Name: 1-[2-hydroxy-9-[4-(2-piperidinoethoxy)phenyl]-7H-phenanthren-2-yl]ethanone Formula: C29H31NO3 MolecularWeight: 441.56134

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C=CC2=C3C=CCC=C3C(=CC2=C1)C4=CC=C(C=C4)OCCN5CCCCC5)O

Isomeric SMILES

CC(=O)C1(C=CC2=C3C=CCC=C3C(=CC2=C1)C4=CC=C(C=C4)OCCN5CCCCC5)O

InChI

InChI=1S/C29H31NO3/c1-21(31)29(32)14-13-25-23(20-29)19-28(27-8-4-3-7-26(25)27)22-9-11-24(12-10-22)33-18-17-30-15-5-2-6-16-30/h3,7-14,19-20,32H,2,4-6,15-18H2,1H3