2,3-bis[(4-methylphenyl)carbonyloxy]butanedioic acid; 4-octoxy-3-(propoxymethyl)aniline

Systemtic Name: 2,3-bis[(4-methylphenyl)carbonyloxy]butanedioic acid; 4-octoxy-3-(propoxymethyl)aniline Openeye Name: 2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid; 4-octoxy-3-(propoxymethyl)aniline CAS Name: 2,3-bis[(4-methylphenyl)-oxomethoxy]butanedioic acid; 4-octoxy-3-(propoxymethyl)aniline IUPAC Name: 2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid; 4-octoxy-3-(propoxymethyl)aniline Traditional Name: 2,3-bis(p-toluoyloxy)succinic acid; [4-octoxy-3-(propoxymethyl)phenyl]amine Formula: C38H49NO10 MolecularWeight: 679.79636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)N)COCCC.CC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)N)COCCC.CC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O

InChI

InChI=1S/C20H18O8.C18H31NO2/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14;1-3-5-6-7-8-9-13-21-18-11-10-17(19)14-16(18)15-20-12-4-2/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24);10-11,14H,3-9,12-13,15,19H2,1-2H3