ethanedioic acid; methyl 3-[3-(5-methylhexan-2-ylamino)-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethanedioic acid; methyl 3-[3-(5-methylhexan-2-ylamino)-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 3-[3-(1,4-dimethylpentylamino)-2-hydroxy-propoxy]benzoate; oxalic acid CAS Name: 3-[2-hydroxy-3-(5-methylhexan-2-ylamino)propoxy]benzoic acid methyl ester; oxalic acid IUPAC Name: methyl 3-[2-hydroxy-3-(5-methylhexan-2-ylamino)propoxy]benzoate; oxalic acid Traditional Name: 3-[3-(1,4-dimethylpentylamino)-2-hydroxy-propoxy]benzoic acid methyl ester; oxalic acid Formula: C20H31NO8 MolecularWeight: 413.46204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NCC(COC1=CC=CC(=C1)C(=O)OC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)CCC(C)NCC(COC1=CC=CC(=C1)C(=O)OC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H29NO4.C2H2O4/c1-13(2)8-9-14(3)19-11-16(20)12-23-17-7-5-6-15(10-17)18(21)22-4;3-1(4)2(5)6/h5-7,10,13-14,16,19-20H,8-9,11-12H2,1-4H3;(H,3,4)(H,5,6)