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

Systemtic Name: 5-[4-dodecanoyl-2-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-pyrrol-1-yl]pentanoic acid Openeye Name: 5-[4-dodecanoyl-2-(3-methoxy-3-oxo-propyl)-3,5-dimethyl-pyrrol-1-yl]pentanoic acid CAS Name: 5-[2-(3-methoxy-3-oxopropyl)-3,5-dimethyl-4-(1-oxododecyl)-1-pyrrolyl]pentanoic acid IUPAC Name: 5-[4-dodecanoyl-2-(3-methoxy-3-oxopropyl)-3,5-dimethylpyrrol-1-yl]pentanoic acid Traditional Name: 5-[2-(3-keto-3-methoxy-propyl)-4-lauroyl-3,5-dimethyl-pyrrol-1-yl]valeric acid Formula: C27H45NO5 MolecularWeight: 463.6499

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H45NO5/c1-5-6-7-8-9-10-11-12-13-16-24(29)27-21(2)23(18-19-26(32)33-4)28(22(27)3)20-15-14-17-25(30)31/h5-20H2,1-4H3,(H,30,31)