3,3-dimethyl-1-[2-[(E)-5-(4-phenylmethoxyphenyl)pent-4-enoyl]pyrrolidin-1-yl]pentane-1,2-dione

Systemtic Name: 3,3-dimethyl-1-[2-[(E)-5-(4-phenylmethoxyphenyl)pent-4-enoyl]pyrrolidin-1-yl]pentane-1,2-dione Openeye Name: 1-[2-[(E)-5-(4-benzyloxyphenyl)pent-4-enoyl]pyrrolidin-1-yl]-3,3-dimethyl-pentane-1,2-dione CAS Name: 3,3-dimethyl-1-[2-[(E)-1-oxo-5-(4-phenylmethoxyphenyl)pent-4-enyl]-1-pyrrolidinyl]pentane-1,2-dione IUPAC Name: 3,3-dimethyl-1-[2-[(E)-5-(4-phenylmethoxyphenyl)pent-4-enoyl]pyrrolidin-1-yl]pentane-1,2-dione Traditional Name: 1-[2-[(E)-5-(4-benzoxyphenyl)pent-4-enoyl]pyrrolidino]-3,3-dimethyl-pentane-1,2-dione Formula: C29H35NO4 MolecularWeight: 461.5925

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)CCC=CC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)CC/C=C/C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C29H35NO4/c1-4-29(2,3)27(32)28(33)30-20-10-14-25(30)26(31)15-9-8-11-22-16-18-24(19-17-22)34-21-23-12-6-5-7-13-23/h5-8,11-13,16-19,25H,4,9-10,14-15,20-21H2,1-3H3/b11-8+