(Z)-3-(dimethylaminomethyl)-2-[(Z)-octadec-9-enoyl]-4-oxidanylidene-henicos-12-enamide

Systemtic Name: (Z)-3-(dimethylaminomethyl)-2-[(Z)-octadec-9-enoyl]-4-oxidanylidene-henicos-12-enamide Openeye Name: (Z)-3-(dimethylaminomethyl)-2-[(Z)-octadec-9-enoyl]-4-oxo-henicos-12-enamide CAS Name: (Z)-3-(dimethylaminomethyl)-4-oxo-2-[(Z)-1-oxooctadec-9-enyl]-12-heneicosenamide IUPAC Name: (Z)-3-(dimethylaminomethyl)-2-[(Z)-octadec-9-enoyl]-4-oxohenicos-12-enamide Traditional Name: (Z)-3-(dimethylaminomethyl)-4-keto-2-[(Z)-octadec-9-enoyl]heneicos-12-enamide Formula: C42H78N2O3 MolecularWeight: 659.08032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)C(CN(C)C)C(C(=O)CCCCCCCC=CCCCCCCCC)C(=O)N

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)C(CN(C)C)C(C(=O)CCCCCCC/C=C\CCCCCCCC)C(=O)N

InChI

InChI=1S/C42H78N2O3/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(45)38(37-44(3)4)41(42(43)47)40(46)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,38,41H,5-18,23-37H2,1-4H3,(H2,43,47)/b21-19-,22-20-