1-[(3-ethoxy-3-oxidanylidene-propyl)-ethyl-carbamoyl]-4-[4-[(E)-2-methoxyethenyl]phenoxy]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-ethoxy-3-oxidanylidene-propyl)-ethyl-carbamoyl]-4-[4-[(E)-2-methoxyethenyl]phenoxy]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-ethoxy-3-oxo-propyl)-ethyl-carbamoyl]-4-[4-[(E)-2-methoxyvinyl]phenoxy]pyrrolidine-2-carboxylic acid CAS Name: 1-[[(3-ethoxy-3-oxopropyl)-ethylamino]-oxomethyl]-4-[4-[(E)-2-methoxyethenyl]phenoxy]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-3-oxopropyl)-ethylcarbamoyl]-4-[4-[(E)-2-methoxyethenyl]phenoxy]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(3-ethoxy-3-keto-propyl)-ethyl-carbamoyl]-4-[4-[(E)-2-methoxyvinyl]phenoxy]proline Formula: C22H30N2O7 MolecularWeight: 434.4828

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC(=O)OCC)C(=O)N1CC(CC1C(=O)O)OC2=CC=C(C=C2)C=COC

Isomeric SMILES

CCN(CCC(=O)OCC)C(=O)N1CC(CC1C(=O)O)OC2=CC=C(C=C2)/C=C/OC

InChI

InChI=1S/C22H30N2O7/c1-4-23(12-10-20(25)30-5-2)22(28)24-15-18(14-19(24)21(26)27)31-17-8-6-16(7-9-17)11-13-29-3/h6-9,11,13,18-19H,4-5,10,12,14-15H2,1-3H3,(H,26,27)/b13-11+