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

Systemtic Name: ethanedioic acid; 1-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]azepane Openeye Name: oxalic acid; 1-[1-[(3-phenoxyphenyl)methyl]-4-piperidyl]azepane CAS Name: oxalic acid; 1-[1-[(3-phenoxyphenyl)methyl]-4-piperidinyl]azepane IUPAC Name: oxalic acid; 1-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]azepane Traditional Name: oxalic acid; 1-[1-(3-phenoxybenzyl)-4-piperidyl]azepane Formula: C26H34N2O5 MolecularWeight: 454.55856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2CCN(CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)C2CCN(CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H32N2O.C2H2O4/c1-2-7-16-26(15-6-1)22-13-17-25(18-14-22)20-21-9-8-12-24(19-21)27-23-10-4-3-5-11-23;3-1(4)2(5)6/h3-5,8-12,19,22H,1-2,6-7,13-18,20H2;(H,3,4)(H,5,6)