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

Systemtic Name: (E)-6-[1-[(4-chlorophenyl)carbamoyl]-2-pyridin-3-yl-pyrrolidin-3-yl]hex-4-enoic acid Openeye Name: (E)-6-[1-[(4-chlorophenyl)carbamoyl]-2-(3-pyridyl)pyrrolidin-3-yl]hex-4-enoic acid CAS Name: (E)-6-[1-[(4-chloroanilino)-oxomethyl]-2-(3-pyridinyl)-3-pyrrolidinyl]-4-hexenoic acid IUPAC Name: (E)-6-[1-[(4-chlorophenyl)carbamoyl]-2-pyridin-3-ylpyrrolidin-3-yl]hex-4-enoic acid Traditional Name: (E)-6-[1-[(4-chlorophenyl)carbamoyl]-2-(3-pyridyl)pyrrolidin-3-yl]hex-4-enoic acid Formula: C22H24ClN3O3 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C1CC=CCCC(=O)O)C2=CN=CC=C2)C(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(C(C1C/C=C/CCC(=O)O)C2=CN=CC=C2)C(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H24ClN3O3/c23-18-8-10-19(11-9-18)25-22(29)26-14-12-16(5-2-1-3-7-20(27)28)21(26)17-6-4-13-24-15-17/h1-2,4,6,8-11,13,15-16,21H,3,5,7,12,14H2,(H,25,29)(H,27,28)/b2-1+