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

Systemtic Name: 6-cyclopentyl-6-[2-(3-hydroxyphenyl)ethyl]-3-[phenyl(propyl)amino]oxane-2,4-dione Openeye Name: 6-cyclopentyl-6-[2-(3-hydroxyphenyl)ethyl]-3-(N-propylanilino)tetrahydropyran-2,4-dione CAS Name: 6-cyclopentyl-6-[2-(3-hydroxyphenyl)ethyl]-3-(N-propylanilino)oxane-2,4-dione IUPAC Name: 6-cyclopentyl-6-[2-(3-hydroxyphenyl)ethyl]-3-(N-propylanilino)oxane-2,4-dione Traditional Name: 6-cyclopentyl-6-[2-(3-hydroxyphenyl)ethyl]-3-(N-propylanilino)tetrahydropyran-2,4-quinone Formula: C27H33NO4 MolecularWeight: 435.55522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33NO4/c1-2-17-28(22-12-4-3-5-13-22)25-24(30)19-27(32-26(25)31,21-10-6-7-11-21)16-15-20-9-8-14-23(29)18-20/h3-5,8-9,12-14,18,21,25,29H,2,6-7,10-11,15-17,19H2,1H3