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

Systemtic Name: ethanedioic acid; 1-[3-methoxy-4-[3-[(4-methylcyclohexyl)amino]-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[4-[2-hydroxy-3-[(4-methylcyclohexyl)amino]propoxy]-3-methoxy-phenyl]ethanone; oxalic acid CAS Name: 1-[4-[2-hydroxy-3-[(4-methylcyclohexyl)amino]propoxy]-3-methoxyphenyl]ethanone; oxalic acid IUPAC Name: 1-[4-[2-hydroxy-3-[(4-methylcyclohexyl)amino]propoxy]-3-methoxyphenyl]ethanone; oxalic acid Traditional Name: 1-[4-[2-hydroxy-3-[(4-methylcyclohexyl)amino]propoxy]-3-methoxy-phenyl]ethanone; oxalic acid Formula: C21H31NO8 MolecularWeight: 425.47274

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NCC(COC2=C(C=C(C=C2)C(=O)C)OC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCC(CC1)NCC(COC2=C(C=C(C=C2)C(=O)C)OC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H29NO4.C2H2O4/c1-13-4-7-16(8-5-13)20-11-17(22)12-24-18-9-6-15(14(2)21)10-19(18)23-3;3-1(4)2(5)6/h6,9-10,13,16-17,20,22H,4-5,7-8,11-12H2,1-3H3;(H,3,4)(H,5,6)