3-(2,2-dimethyloxan-4-yl)-3-(3-phenylpropanoylamino)propanoic acid

Systemtic Name: 3-(2,2-dimethyloxan-4-yl)-3-(3-phenylpropanoylamino)propanoic acid Openeye Name: 3-(2,2-dimethyltetrahydropyran-4-yl)-3-(3-phenylpropanoylamino)propanoic acid CAS Name: 3-(2,2-dimethyl-4-oxanyl)-3-[(1-oxo-3-phenylpropyl)amino]propanoic acid IUPAC Name: 3-(2,2-dimethyloxan-4-yl)-3-(3-phenylpropanoylamino)propanoic acid Traditional Name: 3-(2,2-dimethyltetrahydropyran-4-yl)-3-(hydrocinnamoylamino)propionic acid Formula: C19H27NO4 MolecularWeight: 333.42198

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)C(CC(=O)O)NC(=O)CCC2=CC=CC=C2)C

Isomeric SMILES

CC1(CC(CCO1)C(CC(=O)O)NC(=O)CCC2=CC=CC=C2)C

InChI

InChI=1S/C19H27NO4/c1-19(2)13-15(10-11-24-19)16(12-18(22)23)20-17(21)9-8-14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3,(H,20,21)(H,22,23)