ethanedioic acid; [1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-4-yl]-piperidin-1-yl-methanone

Systemtic Name: ethanedioic acid; [1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-4-yl]-piperidin-1-yl-methanone Openeye Name: [1-[(3-ethoxy-4-hydroxy-phenyl)methyl]-4-piperidyl]-(1-piperidyl)methanone; oxalic acid CAS Name: [1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-piperidinyl]-(1-piperidinyl)methanone; oxalic acid IUPAC Name: [1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone; oxalic acid Traditional Name: [1-(3-ethoxy-4-hydroxy-benzyl)-4-piperidyl]-piperidino-methanone; oxalic acid Formula: C22H32N2O7 MolecularWeight: 436.49868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCC(CC2)C(=O)N3CCCCC3)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCC(CC2)C(=O)N3CCCCC3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H30N2O3.C2H2O4/c1-2-25-19-14-16(6-7-18(19)23)15-21-12-8-17(9-13-21)20(24)22-10-4-3-5-11-22;3-1(4)2(5)6/h6-7,14,17,23H,2-5,8-13,15H2,1H3;(H,3,4)(H,5,6)