1-[4-[3-(azepan-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]ethanone; ethanedioic acid

Systemtic Name: 1-[4-[3-(azepan-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]ethanone; ethanedioic acid Openeye Name: 1-[4-[3-(azepan-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone; oxalic acid CAS Name: 1-[4-[3-(1-azepanyl)-2-hydroxypropoxy]-3-methoxyphenyl]ethanone; oxalic acid IUPAC Name: 1-[4-[3-(azepan-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]ethanone; oxalic acid Traditional Name: 1-[4-[3-(azepan-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone; oxalic acid Formula: C20H29NO8 MolecularWeight: 411.44616

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC(CN2CCCCCC2)O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCC(CN2CCCCCC2)O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H27NO4.C2H2O4/c1-14(20)15-7-8-17(18(11-15)22-2)23-13-16(21)12-19-9-5-3-4-6-10-19;3-1(4)2(5)6/h7-8,11,16,21H,3-6,9-10,12-13H2,1-2H3;(H,3,4)(H,5,6)