3-[butyl(phenyl)amino]-6-cyclopentyl-6-[2-(3-hydroxyphenyl)ethyl]oxane-2,4-dione

Systemtic Name: 3-[butyl(phenyl)amino]-6-cyclopentyl-6-[2-(3-hydroxyphenyl)ethyl]oxane-2,4-dione Openeye Name: 3-(N-butylanilino)-6-cyclopentyl-6-[2-(3-hydroxyphenyl)ethyl]tetrahydropyran-2,4-dione CAS Name: 3-(N-butylanilino)-6-cyclopentyl-6-[2-(3-hydroxyphenyl)ethyl]oxane-2,4-dione IUPAC Name: 3-(N-butylanilino)-6-cyclopentyl-6-[2-(3-hydroxyphenyl)ethyl]oxane-2,4-dione Traditional Name: 3-(N-butylanilino)-6-cyclopentyl-6-[2-(3-hydroxyphenyl)ethyl]tetrahydropyran-2,4-quinone Formula: C28H35NO4 MolecularWeight: 449.5818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1C(=O)CC(OC1=O)(CCC2=CC(=CC=C2)O)C3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CCCCN(C1C(=O)CC(OC1=O)(CCC2=CC(=CC=C2)O)C3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C28H35NO4/c1-2-3-18-29(23-13-5-4-6-14-23)26-25(31)20-28(33-27(26)32,22-11-7-8-12-22)17-16-21-10-9-15-24(30)19-21/h4-6,9-10,13-15,19,22,26,30H,2-3,7-8,11-12,16-18,20H2,1H3