2-[(2-methyl-2-oxidanyl-oct-3-ynyl)amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(2-methyl-2-oxidanyl-oct-3-ynyl)amino]-3-phenyl-propanoic acid Openeye Name: 2-[(2-hydroxy-2-methyl-oct-3-ynyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[(2-hydroxy-2-methyloct-3-ynyl)amino]-3-phenylpropanoic acid IUPAC Name: 2-[(2-hydroxy-2-methyloct-3-ynyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(2-hydroxy-2-methyl-oct-3-ynyl)amino]-3-phenyl-propionic acid Formula: C18H25NO3 MolecularWeight: 303.396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(C)(CNC(CC1=CC=CC=C1)C(=O)O)O

Isomeric SMILES

CCCCC#CC(C)(CNC(CC1=CC=CC=C1)C(=O)O)O

InChI

InChI=1S/C18H25NO3/c1-3-4-5-9-12-18(2,22)14-19-16(17(20)21)13-15-10-7-6-8-11-15/h6-8,10-11,16,19,22H,3-5,13-14H2,1-2H3,(H,20,21)