(E)-3-[4-[[2-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-4-octadecanoyl-pyrrol-1-yl]methyl]phenyl]prop-2-enoate

Systemtic Name: (E)-3-[4-[[2-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-4-octadecanoyl-pyrrol-1-yl]methyl]phenyl]prop-2-enoate Openeye Name: (E)-3-[4-[[2-(3-methoxy-3-oxo-propyl)-3,5-dimethyl-4-octadecanoyl-pyrrol-1-yl]methyl]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[2-(3-methoxy-3-oxopropyl)-3,5-dimethyl-4-(1-oxooctadecyl)-1-pyrrolyl]methyl]phenyl]-2-propenoate IUPAC Name: (E)-3-[4-[[2-(3-methoxy-3-oxopropyl)-3,5-dimethyl-4-octadecanoylpyrrol-1-yl]methyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[2-(3-keto-3-methoxy-propyl)-3,5-dimethyl-4-stearoyl-pyrrol-1-yl]methyl]phenyl]acrylate Formula: C38H56NO5- MolecularWeight: 606.85494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CCC(=O)OC)CC2=CC=C(C=C2)C=CC(=O)[O-])C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CCC(=O)OC)CC2=CC=C(C=C2)/C=C/C(=O)[O-])C

InChI

InChI=1S/C38H57NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-35(40)38-30(2)34(26-28-37(43)44-4)39(31(38)3)29-33-23-21-32(22-24-33)25-27-36(41)42/h21-25,27H,5-20,26,28-29H2,1-4H3,(H,41,42)/p-1/b27-25+