4-[(Z)-2-ethoxycarbonyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-1-yl]-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(Z)-2-ethoxycarbonyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-1-yl]-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(Z)-2-(1-tert-butoxycarbonylpyrrolidin-1-ium-1-carbonyl)-3-ethoxy-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(Z)-2-ethoxycarbonyl-3-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-pyrrolidin-1-iumyl]-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(Z)-2-ethoxycarbonyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-1-yl]-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(Z)-2-(1-tert-butoxycarbonylpyrrolidin-1-ium-1-carbonyl)-3-ethoxy-3-keto-prop-1-enyl]benzoic acid Formula: C22H28NO7+ MolecularWeight: 418.46022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=C(C=C1)C(=O)O)C(=O)[N+]2(CCCC2)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)/C(=C\C1=CC=C(C=C1)C(=O)O)/C(=O)[N+]2(CCCC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H27NO7/c1-5-29-20(27)17(14-15-8-10-16(11-9-15)19(25)26)18(24)23(12-6-7-13-23)21(28)30-22(2,3)4/h8-11,14H,5-7,12-13H2,1-4H3/p+1/b17-14-