5-[(4-tert-butylphenyl)methoxy]-2-[[4-(4-octylphenyl)carbonylpiperazin-1-yl]methyl]pyran-4-one

Systemtic Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-(4-octylphenyl)carbonylpiperazin-1-yl]methyl]pyran-4-one Openeye Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-(4-octylbenzoyl)piperazin-1-yl]methyl]pyran-4-one CAS Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-[(4-octylphenyl)-oxomethyl]-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-(4-octylbenzoyl)piperazin-1-yl]methyl]pyran-4-one Traditional Name: 5-(4-tert-butylbenzyl)oxy-2-[[4-(4-octylbenzoyl)piperazino]methyl]pyran-4-one Formula: C36H48N2O4 MolecularWeight: 572.77732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC(=O)C(=CO3)OCC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC(=O)C(=CO3)OCC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C36H48N2O4/c1-5-6-7-8-9-10-11-28-12-16-30(17-13-28)35(40)38-22-20-37(21-23-38)25-32-24-33(39)34(27-41-32)42-26-29-14-18-31(19-15-29)36(2,3)4/h12-19,24,27H,5-11,20-23,25-26H2,1-4H3