6-[2-(4-hydroxyphenyl)ethyl]-3-[3-methylbutyl(phenyl)amino]-6-propan-2-yl-oxane-2,4-dione

Systemtic Name: 6-[2-(4-hydroxyphenyl)ethyl]-3-[3-methylbutyl(phenyl)amino]-6-propan-2-yl-oxane-2,4-dione Openeye Name: 6-[2-(4-hydroxyphenyl)ethyl]-3-(N-isopentylanilino)-6-isopropyl-tetrahydropyran-2,4-dione CAS Name: 6-[2-(4-hydroxyphenyl)ethyl]-3-[N-(3-methylbutyl)anilino]-6-propan-2-yloxane-2,4-dione IUPAC Name: 6-[2-(4-hydroxyphenyl)ethyl]-3-[N-(3-methylbutyl)anilino]-6-propan-2-yloxane-2,4-dione Traditional Name: 6-[2-(4-hydroxyphenyl)ethyl]-3-(N-isoamylanilino)-6-isopropyl-tetrahydropyran-2,4-quinone Formula: C27H35NO4 MolecularWeight: 437.5711

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C1C(=O)CC(OC1=O)(CCC2=CC=C(C=C2)O)C(C)C)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCN(C1C(=O)CC(OC1=O)(CCC2=CC=C(C=C2)O)C(C)C)C3=CC=CC=C3

InChI

InChI=1S/C27H35NO4/c1-19(2)15-17-28(22-8-6-5-7-9-22)25-24(30)18-27(20(3)4,32-26(25)31)16-14-21-10-12-23(29)13-11-21/h5-13,19-20,25,29H,14-18H2,1-4H3