5-[[3-(hydroxymethyl)phenyl]-propyl-amino]-6-oxidanyl-2-phenethyl-2-phenyl-3H-pyran-4-one

Systemtic Name: 5-[[3-(hydroxymethyl)phenyl]-propyl-amino]-6-oxidanyl-2-phenethyl-2-phenyl-3H-pyran-4-one Openeye Name: 6-hydroxy-5-[3-(hydroxymethyl)-N-propyl-anilino]-2-phenethyl-2-phenyl-3H-pyran-4-one CAS Name: 6-hydroxy-5-[3-(hydroxymethyl)-N-propylanilino]-2-phenethyl-2-phenyl-3H-pyran-4-one IUPAC Name: 6-hydroxy-5-[3-(hydroxymethyl)-N-propylanilino]-2-phenethyl-2-phenyl-3H-pyran-4-one Traditional Name: 6-hydroxy-5-(3-methylol-N-propyl-anilino)-2-phenethyl-2-phenyl-3H-pyran-4-one Formula: C29H31NO4 MolecularWeight: 457.56074

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC=CC(=C1)CO)C2=C(OC(CC2=O)(CCC3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

CCCN(C1=CC=CC(=C1)CO)C2=C(OC(CC2=O)(CCC3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C29H31NO4/c1-2-18-30(25-15-9-12-23(19-25)21-31)27-26(32)20-29(34-28(27)33,24-13-7-4-8-14-24)17-16-22-10-5-3-6-11-22/h3-15,19,31,33H,2,16-18,20-21H2,1H3