2,3-bis[(4-methylphenyl)carbonyloxy]butanedioic acid; 3-(1-methylpyrrolidin-2-yl)pyridine

Systemtic Name: 2,3-bis[(4-methylphenyl)carbonyloxy]butanedioic acid; 3-(1-methylpyrrolidin-2-yl)pyridine Openeye Name: 2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid; 3-(1-methylpyrrolidin-2-yl)pyridine CAS Name: 2,3-bis[(4-methylphenyl)-oxomethoxy]butanedioic acid; 3-(1-methyl-2-pyrrolidinyl)pyridine IUPAC Name: 2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid; 3-(1-methylpyrrolidin-2-yl)pyridine Traditional Name: 2,3-bis(p-toluoyloxy)succinic acid; nicotine 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.CN1CCCC1C2=CN=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O.CN1CCCC1C2=CN=CC=C2

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;1-12-7-3-5-10(12)9-4-2-6-11-8-9/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24);2,4,6,8,10H,3,5,7H2,1H3