azepan-1-yl-[1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-3-yl]methanone; ethanedioic acid

Systemtic Name: azepan-1-yl-[1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-3-yl]methanone; ethanedioic acid Openeye Name: azepan-1-yl-[1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-3-piperidyl]methanone; oxalic acid CAS Name: 1-azepanyl-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-piperidinyl]methanone; oxalic acid IUPAC Name: azepan-1-yl-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-3-yl]methanone; oxalic acid Traditional Name: azepan-1-yl-[1-(4-benzoxy-3-methoxy-benzyl)-3-piperidyl]methanone; oxalic acid Formula: C29H38N2O7 MolecularWeight: 526.62122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCCC(C2)C(=O)N3CCCCCC3)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CCCC(C2)C(=O)N3CCCCCC3)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H36N2O3.C2H2O4/c1-31-26-18-23(13-14-25(26)32-21-22-10-5-4-6-11-22)19-28-15-9-12-24(20-28)27(30)29-16-7-2-3-8-17-29;3-1(4)2(5)6/h4-6,10-11,13-14,18,24H,2-3,7-9,12,15-17,19-21H2,1H3;(H,3,4)(H,5,6)