(2S)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]-N,N-bis(2-oxidanylpropyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]-N,N-bis(2-oxidanylpropyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-N,N-bis(2-hydroxypropyl)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]pyrrolidine-2-carboxamide CAS Name: (2S)-N,N-bis(2-hydroxypropyl)-1-[4-(3-methylphenoxy)-2-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N,N-bis(2-hydroxypropyl)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N,N-bis(2-hydroxypropyl)-1-[4-(3-methylphenoxy)pyrimidin-2-yl]pyrrolidine-2-carboxamide Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=NC(=NC=C2)N3CCCC3C(=O)N(CC(C)O)CC(C)O

Isomeric SMILES

CC1=CC(=CC=C1)OC2=NC(=NC=C2)N3CCC[C@H]3C(=O)N(CC(C)O)CC(C)O

InChI

InChI=1S/C22H30N4O4/c1-15-6-4-7-18(12-15)30-20-9-10-23-22(24-20)26-11-5-8-19(26)21(29)25(13-16(2)27)14-17(3)28/h4,6-7,9-10,12,16-17,19,27-28H,5,8,11,13-14H2,1-3H3/t16?,17?,19-/m0/s1