4-(4-chloranyl-3-oxidanylidene-5-phenyl-1,2-oxazol-2-yl)-3-methoxy-2-pyrrolidin-1-yl-butanoic acid

Systemtic Name: 4-(4-chloranyl-3-oxidanylidene-5-phenyl-1,2-oxazol-2-yl)-3-methoxy-2-pyrrolidin-1-yl-butanoic acid Openeye Name: 4-(4-chloro-3-oxo-5-phenyl-isoxazol-2-yl)-3-methoxy-2-pyrrolidin-1-yl-butanoic acid CAS Name: 4-(4-chloro-3-oxo-5-phenyl-2-isoxazolyl)-3-methoxy-2-(1-pyrrolidinyl)butanoic acid IUPAC Name: 4-(4-chloro-3-oxo-5-phenyl-1,2-oxazol-2-yl)-3-methoxy-2-pyrrolidin-1-ylbutanoic acid Traditional Name: 4-(4-chloro-3-keto-5-phenyl-4-isoxazolin-2-yl)-3-methoxy-2-pyrrolidino-butyric acid Formula: C18H21ClN2O5 MolecularWeight: 380.82274

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Descriptors Computed from Structure

Canonical SMILES:

COC(CN1C(=O)C(=C(O1)C2=CC=CC=C2)Cl)C(C(=O)O)N3CCCC3

Isomeric SMILES

COC(CN1C(=O)C(=C(O1)C2=CC=CC=C2)Cl)C(C(=O)O)N3CCCC3

InChI

InChI=1S/C18H21ClN2O5/c1-25-13(15(18(23)24)20-9-5-6-10-20)11-21-17(22)14(19)16(26-21)12-7-3-2-4-8-12/h2-4,7-8,13,15H,5-6,9-11H2,1H3,(H,23,24)