(E)-6-[1-(2-methoxyphenyl)carbonyl-2-pyridin-3-yl-pyrrolidin-3-yl]hex-4-enoic acid

Systemtic Name: (E)-6-[1-(2-methoxyphenyl)carbonyl-2-pyridin-3-yl-pyrrolidin-3-yl]hex-4-enoic acid Openeye Name: (E)-6-[1-(2-methoxybenzoyl)-2-(3-pyridyl)pyrrolidin-3-yl]hex-4-enoic acid CAS Name: (E)-6-[1-[(2-methoxyphenyl)-oxomethyl]-2-(3-pyridinyl)-3-pyrrolidinyl]-4-hexenoic acid IUPAC Name: (E)-6-[1-(2-methoxybenzoyl)-2-pyridin-3-ylpyrrolidin-3-yl]hex-4-enoic acid Traditional Name: (E)-6-[1-o-anisoyl-2-(3-pyridyl)pyrrolidin-3-yl]hex-4-enoic acid Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)N2CCC(C2C3=CN=CC=C3)CC=CCCC(=O)O

Isomeric SMILES

COC1=CC=CC=C1C(=O)N2CCC(C2C3=CN=CC=C3)C/C=C/CCC(=O)O

InChI

InChI=1S/C23H26N2O4/c1-29-20-11-6-5-10-19(20)23(28)25-15-13-17(8-3-2-4-12-21(26)27)22(25)18-9-7-14-24-16-18/h2-3,5-7,9-11,14,16-17,22H,4,8,12-13,15H2,1H3,(H,26,27)/b3-2+