2-(3-methylbutyl)-5-[4-methylpentyl-(phenylmethyl)amino]-6-oxidanyl-2-phenyl-3H-pyran-4-one

Systemtic Name: 2-(3-methylbutyl)-5-[4-methylpentyl-(phenylmethyl)amino]-6-oxidanyl-2-phenyl-3H-pyran-4-one Openeye Name: 5-[benzyl(isohexyl)amino]-6-hydroxy-2-isopentyl-2-phenyl-3H-pyran-4-one CAS Name: 6-hydroxy-2-(3-methylbutyl)-5-[4-methylpentyl-(phenylmethyl)amino]-2-phenyl-3H-pyran-4-one IUPAC Name: 5-[benzyl(4-methylpentyl)amino]-6-hydroxy-2-(3-methylbutyl)-2-phenyl-3H-pyran-4-one Traditional Name: 5-[benzyl(isohexyl)amino]-6-hydroxy-2-isoamyl-2-phenyl-3H-pyran-4-one Formula: C29H39NO3 MolecularWeight: 449.62486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCN(CC1=CC=CC=C1)C2=C(OC(CC2=O)(CCC(C)C)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)CCCN(CC1=CC=CC=C1)C2=C(OC(CC2=O)(CCC(C)C)C3=CC=CC=C3)O

InChI

InChI=1S/C29H39NO3/c1-22(2)12-11-19-30(21-24-13-7-5-8-14-24)27-26(31)20-29(33-28(27)32,18-17-23(3)4)25-15-9-6-10-16-25/h5-10,13-16,22-23,32H,11-12,17-21H2,1-4H3