1-[(2S)-2-(3-phenylpropoxymethyl)pyrrolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione

Systemtic Name: 1-[(2S)-2-(3-phenylpropoxymethyl)pyrrolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione Openeye Name: 1-[(2S)-2-(3-phenylpropoxymethyl)pyrrolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione CAS Name: 1-[(2S)-2-(3-phenylpropoxymethyl)-1-pyrrolidinyl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione IUPAC Name: 1-[(2S)-2-(3-phenylpropoxymethyl)pyrrolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione Traditional Name: 1-[(2S)-2-(3-phenylpropoxymethyl)pyrrolidino]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione Formula: C25H31NO6 MolecularWeight: 441.51674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)C(=O)N2CCCC2COCCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)C(=O)N2CCC[C@H]2COCCCC3=CC=CC=C3

InChI

InChI=1S/C25H31NO6/c1-29-21-15-19(16-22(30-2)24(21)31-3)23(27)25(28)26-13-7-12-20(26)17-32-14-8-11-18-9-5-4-6-10-18/h4-6,9-10,15-16,20H,7-8,11-14,17H2,1-3H3/t20-/m0/s1