5-[(3,5-dimethylphenyl)methoxy]-2-[(4-undec-10-enoylpiperazin-1-yl)methyl]pyran-4-one

Systemtic Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[(4-undec-10-enoylpiperazin-1-yl)methyl]pyran-4-one Openeye Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[(4-undec-10-enoylpiperazin-1-yl)methyl]pyran-4-one CAS Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(1-oxoundec-10-enyl)-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[(4-undec-10-enoylpiperazin-1-yl)methyl]pyran-4-one Traditional Name: 5-(3,5-dimethylbenzyl)oxy-2-[(4-undec-10-enoylpiperazino)methyl]pyran-4-one Formula: C30H42N2O4 MolecularWeight: 494.66548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC2=COC(=CC2=O)CN3CCN(CC3)C(=O)CCCCCCCCC=C)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC2=COC(=CC2=O)CN3CCN(CC3)C(=O)CCCCCCCCC=C)C

InChI

InChI=1S/C30H42N2O4/c1-4-5-6-7-8-9-10-11-12-30(34)32-15-13-31(14-16-32)21-27-20-28(33)29(23-35-27)36-22-26-18-24(2)17-25(3)19-26/h4,17-20,23H,1,5-16,21-22H2,2-3H3