(2R,3R)-2,3-bis[(4-methylphenyl)carbonyloxy]butanedioic acid; (E)-N-methyl-4-pyridin-3-yl-but-3-en-1-amine

Systemtic Name: (2R,3R)-2,3-bis[(4-methylphenyl)carbonyloxy]butanedioic acid; (E)-N-methyl-4-pyridin-3-yl-but-3-en-1-amine Openeye Name: (2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid; (E)-N-methyl-4-(3-pyridyl)but-3-en-1-amine CAS Name: (2R,3R)-2,3-bis[(4-methylphenyl)-oxomethoxy]butanedioic acid; (E)-N-methyl-4-(3-pyridinyl)-3-buten-1-amine IUPAC Name: (2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid; (E)-N-methyl-4-pyridin-3-ylbut-3-en-1-amine Traditional Name: (2R,3R)-2,3-bis(p-toluoyloxy)succinic acid; methyl-[(E)-4-(3-pyridyl)but-3-enyl]amine Formula: C30H32N2O8 MolecularWeight: 548.58368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O.CNCCC=CC1=CN=CC=C1

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O.CNCC/C=C/C1=CN=CC=C1

InChI

InChI=1S/C20H18O8.C10H14N2/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;1-11-7-3-2-5-10-6-4-8-12-9-10/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24);2,4-6,8-9,11H,3,7H2,1H3/b;5-2+/t15-,16-;/m1./s1