2-methyl-6-[4-(phenylmethyl)piperazin-1-yl]carbonyl-oxane-3-carboxylic acid

Systemtic Name: 2-methyl-6-[4-(phenylmethyl)piperazin-1-yl]carbonyl-oxane-3-carboxylic acid Openeye Name: 6-(4-benzylpiperazine-1-carbonyl)-2-methyl-tetrahydropyran-3-carboxylic acid CAS Name: 2-methyl-6-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3-oxanecarboxylic acid IUPAC Name: 6-(4-benzylpiperazine-1-carbonyl)-2-methyloxane-3-carboxylic acid Traditional Name: 6-(4-benzylpiperazine-1-carbonyl)-2-methyl-tetrahydropyran-3-carboxylic acid Formula: C19H26N2O4 MolecularWeight: 346.42074

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCC(O1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1C(CCC(O1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H26N2O4/c1-14-16(19(23)24)7-8-17(25-14)18(22)21-11-9-20(10-12-21)13-15-5-3-2-4-6-15/h2-6,14,16-17H,7-13H2,1H3,(H,23,24)