ethanedioic acid; methyl 3-methoxy-4-[3-[(2-methylcyclohexyl)amino]-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethanedioic acid; methyl 3-methoxy-4-[3-[(2-methylcyclohexyl)amino]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[2-hydroxy-3-[(2-methylcyclohexyl)amino]propoxy]-3-methoxy-benzoate; oxalic acid CAS Name: 4-[2-hydroxy-3-[(2-methylcyclohexyl)amino]propoxy]-3-methoxybenzoic acid methyl ester; oxalic acid IUPAC Name: methyl 4-[2-hydroxy-3-[(2-methylcyclohexyl)amino]propoxy]-3-methoxybenzoate; oxalic acid Traditional Name: 4-[2-hydroxy-3-[(2-methylcyclohexyl)amino]propoxy]-3-methoxy-benzoic acid methyl ester; oxalic acid Formula: C21H31NO9 MolecularWeight: 441.47214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO5.C2H2O4/c1-13-6-4-5-7-16(13)20-11-15(21)12-25-17-9-8-14(19(22)24-3)10-18(17)23-2;3-1(4)2(5)6/h8-10,13,15-16,20-21H,4-7,11-12H2,1-3H3;(H,3,4)(H,5,6)