5-(3-methoxyphenyl)-7-azabicyclo[3.2.1]octane; 2-oxidanylbutanedioic acid

Systemtic Name: 5-(3-methoxyphenyl)-7-azabicyclo[3.2.1]octane; 2-oxidanylbutanedioic acid Openeye Name: 2-hydroxybutanedioic acid; 5-(3-methoxyphenyl)-7-azabicyclo[3.2.1]octane CAS Name: 2-hydroxybutanedioic acid; 5-(3-methoxyphenyl)-7-azabicyclo[3.2.1]octane IUPAC Name: 2-hydroxybutanedioic acid; 5-(3-methoxyphenyl)-7-azabicyclo[3.2.1]octane Traditional Name: malic acid; 5-(3-methoxyphenyl)-7-azabicyclo[3.2.1]octane Formula: C18H25NO6 MolecularWeight: 351.3942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C23CCCC(C2)NC3.C(C(C(=O)O)O)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C23CCCC(C2)NC3.C(C(C(=O)O)O)C(=O)O

InChI

InChI=1S/C14H19NO.C4H6O5/c1-16-13-6-2-4-11(8-13)14-7-3-5-12(9-14)15-10-14;5-2(4(8)9)1-3(6)7/h2,4,6,8,12,15H,3,5,7,9-10H2,1H3;2,5H,1H2,(H,6,7)(H,8,9)