2-[(3S,5R)-5-ethoxycarbonyl-6-methylidene-2-oxidanylidene-1-(phenylmethyl)piperidin-3-yl]ethanoic acid

Systemtic Name: 2-[(3S,5R)-5-ethoxycarbonyl-6-methylidene-2-oxidanylidene-1-(phenylmethyl)piperidin-3-yl]ethanoic acid Openeye Name: 2-[(3S,5R)-1-benzyl-5-ethoxycarbonyl-6-methylene-2-oxo-3-piperidyl]acetic acid CAS Name: 2-[(3S,5R)-5-ethoxycarbonyl-6-methylene-2-oxo-1-(phenylmethyl)-3-piperidinyl]acetic acid IUPAC Name: 2-[(3S,5R)-1-benzyl-5-ethoxycarbonyl-6-methylidene-2-oxopiperidin-3-yl]acetic acid Traditional Name: 2-[(3S,5R)-1-benzyl-5-carbethoxy-2-keto-6-methylene-3-piperidyl]acetic acid Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC(C(=O)N(C1=C)CC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CCOC(=O)[C@@H]1C[C@H](C(=O)N(C1=C)CC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C18H21NO5/c1-3-24-18(23)15-9-14(10-16(20)21)17(22)19(12(15)2)11-13-7-5-4-6-8-13/h4-8,14-15H,2-3,9-11H2,1H3,(H,20,21)/t14-,15+/m0/s1