ethanedioic acid; methyl 4-[3-(1-adamantylmethylamino)-2-oxidanyl-propoxy]-3-methoxy-benzoate

Systemtic Name: ethanedioic acid; methyl 4-[3-(1-adamantylmethylamino)-2-oxidanyl-propoxy]-3-methoxy-benzoate Openeye Name: methyl 4-[3-(1-adamantylmethylamino)-2-hydroxy-propoxy]-3-methoxy-benzoate; oxalic acid CAS Name: 4-[3-(1-adamantylmethylamino)-2-hydroxypropoxy]-3-methoxybenzoic acid methyl ester; oxalic acid IUPAC Name: methyl 4-[3-(1-adamantylmethylamino)-2-hydroxypropoxy]-3-methoxybenzoate; oxalic acid Traditional Name: 4-[3-(1-adamantylmethylamino)-2-hydroxy-propoxy]-3-methoxy-benzoic acid methyl ester; oxalic acid Formula: C25H35NO9 MolecularWeight: 493.5467

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)OCC(CNCC23CC4CC(C2)CC(C4)C3)O.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)OCC(CNCC23CC4CC(C2)CC(C4)C3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H33NO5.C2H2O4/c1-27-21-8-18(22(26)28-2)3-4-20(21)29-13-19(25)12-24-14-23-9-15-5-16(10-23)7-17(6-15)11-23;3-1(4)2(5)6/h3-4,8,15-17,19,24-25H,5-7,9-14H2,1-2H3;(H,3,4)(H,5,6)