ethanedioic acid; (1-methylpiperidin-4-yl) 2-(azocan-1-yl)-2-(1,2-benzoxazol-3-yl)ethanoate

Systemtic Name: ethanedioic acid; (1-methylpiperidin-4-yl) 2-(azocan-1-yl)-2-(1,2-benzoxazol-3-yl)ethanoate Openeye Name: (1-methyl-4-piperidyl) 2-(azocan-1-yl)-2-(1,2-benzoxazol-3-yl)acetate; oxalic acid CAS Name: 2-(1-azocanyl)-2-(1,2-benzoxazol-3-yl)acetic acid (1-methyl-4-piperidinyl) ester; oxalic acid IUPAC Name: (1-methylpiperidin-4-yl) 2-(azocan-1-yl)-2-(1,2-benzoxazol-3-yl)acetate; oxalic acid Traditional Name: 2-(azocan-1-yl)-2-indoxazen-3-yl-acetic acid (1-methyl-4-piperidyl) ester; oxalic acid Formula: C24H33N3O7 MolecularWeight: 475.53472

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)OC(=O)C(C2=NOC3=CC=CC=C32)N4CCCCCCC4.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCC(CC1)OC(=O)C(C2=NOC3=CC=CC=C32)N4CCCCCCC4.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H31N3O3.C2H2O4/c1-24-15-11-17(12-16-24)27-22(26)21(25-13-7-3-2-4-8-14-25)20-18-9-5-6-10-19(18)28-23-20;3-1(4)2(5)6/h5-6,9-10,17,21H,2-4,7-8,11-16H2,1H3;(H,3,4)(H,5,6)