(1R,2R,4R)-2-(azepan-1-yl)-4-phenylmethoxy-cyclopentan-1-ol; heptanoic acid

Systemtic Name: (1R,2R,4R)-2-(azepan-1-yl)-4-phenylmethoxy-cyclopentan-1-ol; heptanoic acid Openeye Name: (1R,2R,4R)-2-(azepan-1-yl)-4-benzyloxy-cyclopentanol; heptanoic acid CAS Name: (1R,2R,4R)-2-(1-azepanyl)-4-phenylmethoxy-1-cyclopentanol; heptanoic acid IUPAC Name: (1R,2R,4R)-2-(azepan-1-yl)-4-phenylmethoxycyclopentan-1-ol; heptanoic acid Traditional Name: (1R,2R,4R)-2-(azepan-1-yl)-4-benzoxy-cyclopentanol; enanthic acid Formula: C25H41NO4 MolecularWeight: 419.59734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)O.C1CCCN(CC1)C2CC(CC2O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(=O)O.C1CCCN(CC1)[C@@H]2C[C@H](C[C@H]2O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H27NO2.C7H14O2/c20-18-13-16(21-14-15-8-4-3-5-9-15)12-17(18)19-10-6-1-2-7-11-19;1-2-3-4-5-6-7(8)9/h3-5,8-9,16-18,20H,1-2,6-7,10-14H2;2-6H2,1H3,(H,8,9)/t16-,17-,18-;/m1./s1