heptanoic acid; (2R,4R)-2-[2-hydroxyethyl(methyl)amino]-4-phenylmethoxy-cyclopentan-1-one

Systemtic Name: heptanoic acid; (2R,4R)-2-[2-hydroxyethyl(methyl)amino]-4-phenylmethoxy-cyclopentan-1-one Openeye Name: (2R,4R)-4-benzyloxy-2-[2-hydroxyethyl(methyl)amino]cyclopentanone; heptanoic acid CAS Name: heptanoic acid; (2R,4R)-2-[2-hydroxyethyl(methyl)amino]-4-phenylmethoxy-1-cyclopentanone IUPAC Name: heptanoic acid; (2R,4R)-2-[2-hydroxyethyl(methyl)amino]-4-phenylmethoxycyclopentan-1-one Traditional Name: (2R,4R)-4-benzoxy-2-[2-hydroxyethyl(methyl)amino]cyclopentanone; enanthic acid Formula: C22H35NO5 MolecularWeight: 393.517

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)O.CN(CCO)C1CC(CC1=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCC(=O)O.CN(CCO)[C@@H]1C[C@H](CC1=O)OCC2=CC=CC=C2

InChI

InChI=1S/C15H21NO3.C7H14O2/c1-16(7-8-17)14-9-13(10-15(14)18)19-11-12-5-3-2-4-6-12;1-2-3-4-5-6-7(8)9/h2-6,13-14,17H,7-11H2,1H3;2-6H2,1H3,(H,8,9)/t13-,14-;/m1./s1