2-[(2R,7S)-7-(hydroxymethyl)-1-phenylmethoxycarbonyl-azepan-2-yl]ethanoic acid

Systemtic Name: 2-[(2R,7S)-7-(hydroxymethyl)-1-phenylmethoxycarbonyl-azepan-2-yl]ethanoic acid Openeye Name: 2-[(2R,7S)-1-benzyloxycarbonyl-7-(hydroxymethyl)azepan-2-yl]acetic acid CAS Name: 2-[(2R,7S)-7-(hydroxymethyl)-1-phenylmethoxycarbonyl-2-azepanyl]acetic acid IUPAC Name: 2-[(2R,7S)-7-(hydroxymethyl)-1-phenylmethoxycarbonylazepan-2-yl]acetic acid Traditional Name: 2-[(2R,7S)-1-carbobenzoxy-7-methylol-azepan-2-yl]acetic acid Formula: C17H23NO5 MolecularWeight: 321.36822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(C(C1)CC(=O)O)C(=O)OCC2=CC=CC=C2)CO

Isomeric SMILES

C1CC[C@H](N([C@H](C1)CC(=O)O)C(=O)OCC2=CC=CC=C2)CO

InChI

InChI=1S/C17H23NO5/c19-11-15-9-5-4-8-14(10-16(20)21)18(15)17(22)23-12-13-6-2-1-3-7-13/h1-3,6-7,14-15,19H,4-5,8-12H2,(H,20,21)/t14-,15+/m1/s1