ethanedioic acid; 1-[4-[3-[(2-methylcyclohexyl)amino]-2-oxidanyl-propoxy]phenyl]ethanone

Systemtic Name: ethanedioic acid; 1-[4-[3-[(2-methylcyclohexyl)amino]-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[4-[2-hydroxy-3-[(2-methylcyclohexyl)amino]propoxy]phenyl]ethanone; oxalic acid CAS Name: 1-[4-[2-hydroxy-3-[(2-methylcyclohexyl)amino]propoxy]phenyl]ethanone; oxalic acid IUPAC Name: 1-[4-[2-hydroxy-3-[(2-methylcyclohexyl)amino]propoxy]phenyl]ethanone; oxalic acid Traditional Name: 1-[4-[2-hydroxy-3-[(2-methylcyclohexyl)amino]propoxy]phenyl]ethanone; oxalic acid Formula: C20H29NO7 MolecularWeight: 395.44676

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NCC(COC2=CC=C(C=C2)C(=O)C)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCCC1NCC(COC2=CC=C(C=C2)C(=O)C)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H27NO3.C2H2O4/c1-13-5-3-4-6-18(13)19-11-16(21)12-22-17-9-7-15(8-10-17)14(2)20;3-1(4)2(5)6/h7-10,13,16,18-19,21H,3-6,11-12H2,1-2H3;(H,3,4)(H,5,6)