4-dodecanoyl-1-[[4-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenyl]methyl]pyrrole-2-carboxylate

Systemtic Name: 4-dodecanoyl-1-[[4-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenyl]methyl]pyrrole-2-carboxylate Openeye Name: 4-dodecanoyl-1-[[4-[(E)-3-ethoxy-3-oxo-prop-1-enyl]phenyl]methyl]pyrrole-2-carboxylate CAS Name: 1-[[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]methyl]-4-(1-oxododecyl)-2-pyrrolecarboxylate IUPAC Name: 4-dodecanoyl-1-[[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]methyl]pyrrole-2-carboxylate Traditional Name: 1-[4-[(E)-3-ethoxy-3-keto-prop-1-enyl]benzyl]-4-lauroyl-pyrrole-2-carboxylate Formula: C29H38NO5- MolecularWeight: 480.61572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=CN(C(=C1)C(=O)[O-])CC2=CC=C(C=C2)C=CC(=O)OCC

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=CN(C(=C1)C(=O)[O-])CC2=CC=C(C=C2)/C=C/C(=O)OCC

InChI

InChI=1S/C29H39NO5/c1-3-5-6-7-8-9-10-11-12-13-27(31)25-20-26(29(33)34)30(22-25)21-24-16-14-23(15-17-24)18-19-28(32)35-4-2/h14-20,22H,3-13,21H2,1-2H3,(H,33,34)/p-1/b19-18+