N-[4-[(2S,4R)-5,5-dimethyl-4-pyridin-4-yl-pyrrolidin-2-yl]phenyl]ethanamide; ethanedioic acid

Systemtic Name: N-[4-[(2S,4R)-5,5-dimethyl-4-pyridin-4-yl-pyrrolidin-2-yl]phenyl]ethanamide; ethanedioic acid Openeye Name: N-[4-[(2S,4R)-5,5-dimethyl-4-(4-pyridyl)pyrrolidin-2-yl]phenyl]acetamide; oxalic acid CAS Name: N-[4-[(2S,4R)-5,5-dimethyl-4-pyridin-4-yl-2-pyrrolidinyl]phenyl]acetamide; oxalic acid IUPAC Name: N-[4-[(2S,4R)-5,5-dimethyl-4-pyridin-4-ylpyrrolidin-2-yl]phenyl]acetamide; oxalic acid Traditional Name: N-[4-[(2S,4R)-5,5-dimethyl-4-(4-pyridyl)pyrrolidin-2-yl]phenyl]acetamide; oxalic acid Formula: C44H52N6O14 MolecularWeight: 888.91548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2CC(C(N2)(C)C)C3=CC=NC=C3.CC(=O)NC1=CC=C(C=C1)C2CC(C(N2)(C)C)C3=CC=NC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)[C@@H]2C[C@@H](C(N2)(C)C)C3=CC=NC=C3.CC(=O)NC1=CC=C(C=C1)[C@@H]2C[C@@H](C(N2)(C)C)C3=CC=NC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/2C19H23N3O.3C2H2O4/c2*1-13(23)21-16-6-4-15(5-7-16)18-12-17(19(2,3)22-18)14-8-10-20-11-9-14;3*3-1(4)2(5)6/h2*4-11,17-18,22H,12H2,1-3H3,(H,21,23);3*(H,3,4)(H,5,6)/t2*17-,18+;;;/m11.../s1