3-[(3S,5S)-2,2-dimethyl-5-phenyl-pyrrolidin-3-yl]pyridine; ethanedioic acid

Systemtic Name: 3-[(3S,5S)-2,2-dimethyl-5-phenyl-pyrrolidin-3-yl]pyridine; ethanedioic acid Openeye Name: 3-[(3S,5S)-2,2-dimethyl-5-phenyl-pyrrolidin-3-yl]pyridine; oxalic acid CAS Name: 3-[(3S,5S)-2,2-dimethyl-5-phenyl-3-pyrrolidinyl]pyridine; oxalic acid IUPAC Name: 3-[(3S,5S)-2,2-dimethyl-5-phenylpyrrolidin-3-yl]pyridine; oxalic acid Traditional Name: 3-[(3S,5S)-2,2-dimethyl-5-phenyl-pyrrolidin-3-yl]pyridine; oxalic acid Formula: C36H42N4O4 MolecularWeight: 594.74308

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC(N1)C2=CC=CC=C2)C3=CN=CC=C3)C.CC1(C(CC(N1)C2=CC=CC=C2)C3=CN=CC=C3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1([C@@H](C[C@H](N1)C2=CC=CC=C2)C3=CN=CC=C3)C.CC1([C@@H](C[C@H](N1)C2=CC=CC=C2)C3=CN=CC=C3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/2C17H20N2.C2H2O4/c2*1-17(2)15(14-9-6-10-18-12-14)11-16(19-17)13-7-4-3-5-8-13;3-1(4)2(5)6/h2*3-10,12,15-16,19H,11H2,1-2H3;(H,3,4)(H,5,6)/t2*15-,16-;/m00./s1