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

Systemtic Name: 1-[(5S)-2-methoxy-5-(phenylmethoxymethyl)pyrrolidin-1-yl]-3,3-dimethyl-pent-4-en-1-one Openeye Name: 1-[(2S)-2-(benzyloxymethyl)-5-methoxy-pyrrolidin-1-yl]-3,3-dimethyl-pent-4-en-1-one CAS Name: 1-[(5S)-2-methoxy-5-(phenylmethoxymethyl)-1-pyrrolidinyl]-3,3-dimethyl-4-penten-1-one IUPAC Name: 1-[(5S)-2-methoxy-5-(phenylmethoxymethyl)pyrrolidin-1-yl]-3,3-dimethylpent-4-en-1-one Traditional Name: 1-[(2S)-2-(benzoxymethyl)-5-methoxy-pyrrolidino]-3,3-dimethyl-pent-4-en-1-one Formula: C20H29NO3 MolecularWeight: 331.44916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)N1C(CCC1OC)COCC2=CC=CC=C2)C=C

Isomeric SMILES

CC(C)(CC(=O)N1[C@@H](CCC1OC)COCC2=CC=CC=C2)C=C

InChI

InChI=1S/C20H29NO3/c1-5-20(2,3)13-18(22)21-17(11-12-19(21)23-4)15-24-14-16-9-7-6-8-10-16/h5-10,17,19H,1,11-15H2,2-4H3/t17-,19?/m0/s1