8-[4-dodecanoyl-2-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-pyrrol-1-yl]octanoic acid

Systemtic Name: 8-[4-dodecanoyl-2-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-pyrrol-1-yl]octanoic acid Openeye Name: 8-[4-dodecanoyl-2-(3-methoxy-3-oxo-propyl)-3,5-dimethyl-pyrrol-1-yl]octanoic acid CAS Name: 8-[2-(3-methoxy-3-oxopropyl)-3,5-dimethyl-4-(1-oxododecyl)-1-pyrrolyl]octanoic acid IUPAC Name: 8-[4-dodecanoyl-2-(3-methoxy-3-oxopropyl)-3,5-dimethylpyrrol-1-yl]octanoic acid Traditional Name: 8-[2-(3-keto-3-methoxy-propyl)-4-lauroyl-3,5-dimethyl-pyrrol-1-yl]caprylic acid Formula: C30H51NO5 MolecularWeight: 505.72964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CCC(=O)OC)CCCCCCCC(=O)O)C

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(N(C(=C1C)CCC(=O)OC)CCCCCCCC(=O)O)C

InChI

InChI=1S/C30H51NO5/c1-5-6-7-8-9-10-11-13-16-19-27(32)30-24(2)26(21-22-29(35)36-4)31(25(30)3)23-18-15-12-14-17-20-28(33)34/h5-23H2,1-4H3,(H,33,34)