4-[3-(1-hydroxyethyl)-4-(4-methoxy-3-oxidanyl-phenyl)-3-methyl-pyrrolidin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[3-(1-hydroxyethyl)-4-(4-methoxy-3-oxidanyl-phenyl)-3-methyl-pyrrolidin-1-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[3-(1-hydroxyethyl)-4-(3-hydroxy-4-methoxy-phenyl)-3-methyl-pyrrolidin-1-yl]-4-oxo-butanoate CAS Name: 4-[3-(1-hydroxyethyl)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-1-pyrrolidinyl]-4-oxobutanoate IUPAC Name: 4-[3-(1-hydroxyethyl)-4-(3-hydroxy-4-methoxyphenyl)-3-methylpyrrolidin-1-yl]-4-oxobutanoate Traditional Name: 4-[3-(1-hydroxyethyl)-4-(3-hydroxy-4-methoxy-phenyl)-3-methyl-pyrrolidino]-4-keto-butyrate Formula: C18H24NO6- MolecularWeight: 350.38626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(CN(CC1C2=CC(=C(C=C2)OC)O)C(=O)CCC(=O)[O-])C)O

Isomeric SMILES

CC(C1(CN(CC1C2=CC(=C(C=C2)OC)O)C(=O)CCC(=O)[O-])C)O

InChI

InChI=1S/C18H25NO6/c1-11(20)18(2)10-19(16(22)6-7-17(23)24)9-13(18)12-4-5-15(25-3)14(21)8-12/h4-5,8,11,13,20-21H,6-7,9-10H2,1-3H3,(H,23,24)/p-1