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

Systemtic Name: 2,3-bis[(4-methylphenyl)carbonyloxy]butanedioic acid; 3-(diethoxymethyl)-4-octoxy-aniline Openeye Name: 2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid; 3-(diethoxymethyl)-4-octoxy-aniline CAS Name: 2,3-bis[(4-methylphenyl)-oxomethoxy]butanedioic acid; 3-(diethoxymethyl)-4-octoxyaniline IUPAC Name: 2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid; 3-(diethoxymethyl)-4-octoxyaniline Traditional Name: 2,3-bis(p-toluoyloxy)succinic acid; [3-(diethoxymethyl)-4-octoxy-phenyl]amine Formula: C39H51NO11 MolecularWeight: 709.82234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)N)C(OCC)OCC.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)C(OCC)OCC.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.C19H33NO3/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;1-4-7-8-9-10-11-14-23-18-13-12-16(20)15-17(18)19(21-5-2)22-6-3/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24);12-13,15,19H,4-11,14,20H2,1-3H3