3-[ethoxycarbonyl-[3-oxidanyl-5-(5-phenylpentan-2-yl)phenyl]amino]propanoic acid

Systemtic Name: 3-[ethoxycarbonyl-[3-oxidanyl-5-(5-phenylpentan-2-yl)phenyl]amino]propanoic acid Openeye Name: 3-[N-ethoxycarbonyl-3-hydroxy-5-(1-methyl-4-phenyl-butyl)anilino]propanoic acid CAS Name: 3-[N-ethoxycarbonyl-3-hydroxy-5-(5-phenylpentan-2-yl)anilino]propanoic acid IUPAC Name: 3-[N-ethoxycarbonyl-3-hydroxy-5-(5-phenylpentan-2-yl)anilino]propanoic acid Traditional Name: 3-[N-carbethoxy-3-hydroxy-5-(1-methyl-4-phenyl-butyl)anilino]propionic acid Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(CCC(=O)O)C1=CC(=CC(=C1)C(C)CCCC2=CC=CC=C2)O

Isomeric SMILES

CCOC(=O)N(CCC(=O)O)C1=CC(=CC(=C1)C(C)CCCC2=CC=CC=C2)O

InChI

InChI=1S/C23H29NO5/c1-3-29-23(28)24(13-12-22(26)27)20-14-19(15-21(25)16-20)17(2)8-7-11-18-9-5-4-6-10-18/h4-6,9-10,14-17,25H,3,7-8,11-13H2,1-2H3,(H,26,27)