ethanedioic acid; 1-[1-(3-phenylpropyl)piperidin-4-yl]azepane

Systemtic Name: ethanedioic acid; 1-[1-(3-phenylpropyl)piperidin-4-yl]azepane Openeye Name: oxalic acid; 1-[1-(3-phenylpropyl)-4-piperidyl]azepane CAS Name: oxalic acid; 1-[1-(3-phenylpropyl)-4-piperidinyl]azepane IUPAC Name: oxalic acid; 1-[1-(3-phenylpropyl)piperidin-4-yl]azepane Traditional Name: oxalic acid; 1-[1-(3-phenylpropyl)-4-piperidyl]azepane Formula: C22H34N2O4 MolecularWeight: 390.51636

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2CCN(CC2)CCCC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)C2CCN(CC2)CCCC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H32N2.C2H2O4/c1-2-7-16-22(15-6-1)20-12-17-21(18-13-20)14-8-11-19-9-4-3-5-10-19;3-1(4)2(5)6/h3-5,9-10,20H,1-2,6-8,11-18H2;(H,3,4)(H,5,6)