4-(1-benzofuran-6-yl)-1-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

Systemtic Name: 4-(1-benzofuran-6-yl)-1-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Openeye Name: 4-(benzofuran-6-yl)-2-(4-methoxyphenyl)-1-[2-oxo-2-(sec-butylamino)ethyl]pyrrolidine-3-carboxylic acid CAS Name: 4-(6-benzofuranyl)-1-[2-(butan-2-ylamino)-2-oxoethyl]-2-(4-methoxyphenyl)-3-pyrrolidinecarboxylic acid IUPAC Name: 4-(1-benzofuran-6-yl)-1-[2-(butan-2-ylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Traditional Name: 4-(benzofuran-6-yl)-1-[2-keto-2-(sec-butylamino)ethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid Formula: C26H30N2O5 MolecularWeight: 450.5268

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)C=CO4

Isomeric SMILES

CCC(C)NC(=O)CN1CC(C(C1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)C=CO4

InChI

InChI=1S/C26H30N2O5/c1-4-16(2)27-23(29)15-28-14-21(19-6-5-17-11-12-33-22(17)13-19)24(26(30)31)25(28)18-7-9-20(32-3)10-8-18/h5-13,16,21,24-25H,4,14-15H2,1-3H3,(H,27,29)(H,30,31)