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

Systemtic Name: ethanedioic acid; methyl 3-methoxy-4-[2-oxidanyl-3-[(4-oxidanylcyclohexyl)amino]propoxy]benzoate Openeye Name: methyl 4-[2-hydroxy-3-[(4-hydroxycyclohexyl)amino]propoxy]-3-methoxy-benzoate; oxalic acid CAS Name: 4-[2-hydroxy-3-[(4-hydroxycyclohexyl)amino]propoxy]-3-methoxybenzoic acid methyl ester; oxalic acid IUPAC Name: methyl 4-[2-hydroxy-3-[(4-hydroxycyclohexyl)amino]propoxy]-3-methoxybenzoate; oxalic acid Traditional Name: 4-[2-hydroxy-3-[(4-hydroxycyclohexyl)amino]propoxy]-3-methoxy-benzoic acid methyl ester; oxalic acid Formula: C20H29NO10 MolecularWeight: 443.44496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)OCC(CNC2CCC(CC2)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)OCC(CNC2CCC(CC2)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H27NO6.C2H2O4/c1-23-17-9-12(18(22)24-2)3-8-16(17)25-11-15(21)10-19-13-4-6-14(20)7-5-13;3-1(4)2(5)6/h3,8-9,13-15,19-21H,4-7,10-11H2,1-2H3;(H,3,4)(H,5,6)