2-[(E)-3-[3-(4-chloranyl-2-methyl-phenyl)phenyl]-3-oxidanyl-prop-1-enyl]-5-oxidanylidene-2-pyrrolidin-1-yl-heptanoic acid

Systemtic Name: 2-[(E)-3-[3-(4-chloranyl-2-methyl-phenyl)phenyl]-3-oxidanyl-prop-1-enyl]-5-oxidanylidene-2-pyrrolidin-1-yl-heptanoic acid Openeye Name: 2-[(E)-3-[3-(4-chloro-2-methyl-phenyl)phenyl]-3-hydroxy-prop-1-enyl]-5-oxo-2-pyrrolidin-1-yl-heptanoic acid CAS Name: 2-[(E)-3-[3-(4-chloro-2-methylphenyl)phenyl]-3-hydroxyprop-1-enyl]-5-oxo-2-(1-pyrrolidinyl)heptanoic acid IUPAC Name: 2-[(E)-3-[3-(4-chloro-2-methylphenyl)phenyl]-3-hydroxyprop-1-enyl]-5-oxo-2-pyrrolidin-1-ylheptanoic acid Traditional Name: (E)-5-[3-(4-chloro-2-methyl-phenyl)phenyl]-5-hydroxy-2-(3-ketopentyl)-2-pyrrolidino-pent-3-enoic acid Formula: C27H32ClNO4 MolecularWeight: 470.00028

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CCC(C=CC(C1=CC=CC(=C1)C2=C(C=C(C=C2)Cl)C)O)(C(=O)O)N3CCCC3

Isomeric SMILES

CCC(=O)CCC(/C=C/C(C1=CC=CC(=C1)C2=C(C=C(C=C2)Cl)C)O)(C(=O)O)N3CCCC3

InChI

InChI=1S/C27H32ClNO4/c1-3-23(30)11-13-27(26(32)33,29-15-4-5-16-29)14-12-25(31)21-8-6-7-20(18-21)24-10-9-22(28)17-19(24)2/h6-10,12,14,17-18,25,31H,3-5,11,13,15-16H2,1-2H3,(H,32,33)/b14-12+