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

Systemtic Name: ethanedioic acid; 1-[3-methoxy-4-[2-oxidanyl-3-(pentan-3-ylamino)propoxy]phenyl]ethanone Openeye Name: 1-[4-[3-(1-ethylpropylamino)-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone; oxalic acid CAS Name: 1-[4-[2-hydroxy-3-(pentan-3-ylamino)propoxy]-3-methoxyphenyl]ethanone; oxalic acid IUPAC Name: 1-[4-[2-hydroxy-3-(pentan-3-ylamino)propoxy]-3-methoxyphenyl]ethanone; oxalic acid Traditional Name: 1-[4-[3-(1-ethylpropylamino)-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone; oxalic acid Formula: C19H29NO8 MolecularWeight: 399.43546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO4.C2H2O4/c1-5-14(6-2)18-10-15(20)11-22-16-8-7-13(12(3)19)9-17(16)21-4;3-1(4)2(5)6/h7-9,14-15,18,20H,5-6,10-11H2,1-4H3;(H,3,4)(H,5,6)