1-[(5S)-2,2-dimethoxy-5-(phenylmethoxymethyl)pyrrolidin-1-yl]-3-phenyl-pent-4-en-1-one

Systemtic Name: 1-[(5S)-2,2-dimethoxy-5-(phenylmethoxymethyl)pyrrolidin-1-yl]-3-phenyl-pent-4-en-1-one Openeye Name: 1-[(5S)-5-(benzyloxymethyl)-2,2-dimethoxy-pyrrolidin-1-yl]-3-phenyl-pent-4-en-1-one CAS Name: 1-[(5S)-2,2-dimethoxy-5-(phenylmethoxymethyl)-1-pyrrolidinyl]-3-phenyl-4-penten-1-one IUPAC Name: 1-[(5S)-2,2-dimethoxy-5-(phenylmethoxymethyl)pyrrolidin-1-yl]-3-phenylpent-4-en-1-one Traditional Name: 1-[(5S)-5-(benzoxymethyl)-2,2-dimethoxy-pyrrolidino]-3-phenyl-pent-4-en-1-one Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CCC(N1C(=O)CC(C=C)C2=CC=CC=C2)COCC3=CC=CC=C3)OC

Isomeric SMILES

COC1(CC[C@H](N1C(=O)CC(C=C)C2=CC=CC=C2)COCC3=CC=CC=C3)OC

InChI

InChI=1S/C25H31NO4/c1-4-21(22-13-9-6-10-14-22)17-24(27)26-23(15-16-25(26,28-2)29-3)19-30-18-20-11-7-5-8-12-20/h4-14,21,23H,1,15-19H2,2-3H3/t21?,23-/m0/s1