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

Systemtic Name: 4-[(Z)-2-ethoxycarbonyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(Z)-2-(1-tert-butoxycarbonylpyrrolidine-2-carbonyl)-3-ethoxy-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(Z)-2-ethoxycarbonyl-3-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinyl]-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(Z)-2-ethoxycarbonyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(Z)-2-(1-tert-butoxycarbonylprolyl)-3-ethoxy-3-keto-prop-1-enyl]benzoic acid Formula: C22H27NO7 MolecularWeight: 417.45228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=C(C=C1)C(=O)O)C(=O)C2CCCN2C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)/C(=C\C1=CC=C(C=C1)C(=O)O)/C(=O)C2CCCN2C(=O)OC(C)(C)C

InChI

InChI=1S/C22H27NO7/c1-5-29-20(27)16(13-14-8-10-15(11-9-14)19(25)26)18(24)17-7-6-12-23(17)21(28)30-22(2,3)4/h8-11,13,17H,5-7,12H2,1-4H3,(H,25,26)/b16-13-