ethanedioic acid; 1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-piperidin-1-yl-ethanone

Systemtic Name: ethanedioic acid; 1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-piperidin-1-yl-ethanone Openeye Name: 1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-piperidyl)ethanone; oxalic acid CAS Name: 1-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-(1-piperidinyl)ethanone; oxalic acid IUPAC Name: 1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-piperidin-1-ylethanone; oxalic acid Traditional Name: 1-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-piperidino-ethanone; oxalic acid Formula: C18H28N2O6 MolecularWeight: 368.42472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCOC)C)C(=O)CN2CCCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(N1CCOC)C)C(=O)CN2CCCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H26N2O2.C2H2O4/c1-13-11-15(14(2)18(13)9-10-20-3)16(19)12-17-7-5-4-6-8-17;3-1(4)2(5)6/h11H,4-10,12H2,1-3H3;(H,3,4)(H,5,6)