2-(4-methylphenyl)carbonyloxy-3-oxidanyl-butanedioic acid; 3-(1-methylpyrrolidin-2-yl)pyridine

Systemtic Name: 2-(4-methylphenyl)carbonyloxy-3-oxidanyl-butanedioic acid; 3-(1-methylpyrrolidin-2-yl)pyridine Openeye Name: 2-hydroxy-3-(4-methylbenzoyl)oxy-butanedioic acid; 3-(1-methylpyrrolidin-2-yl)pyridine CAS Name: 2-hydroxy-3-[(4-methylphenyl)-oxomethoxy]butanedioic acid; 3-(1-methyl-2-pyrrolidinyl)pyridine IUPAC Name: 2-hydroxy-3-(4-methylbenzoyl)oxybutanedioic acid; 3-(1-methylpyrrolidin-2-yl)pyridine Traditional Name: 2-hydroxy-3-p-toluoyloxy-succinic acid; nicotine Formula: C34H38N2O14 MolecularWeight: 698.67052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H12O7.C10H14N2/c2*1-6-2-4-7(5-3-6)12(18)19-9(11(16)17)8(13)10(14)15;1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2*2-5,8-9,13H,1H3,(H,14,15)(H,16,17);2,4,6,8,10H,3,5,7H2,1H3