(2R)-2-[[(2R)-2-methyl-2-oxidanyl-4-phenyl-but-3-ynyl]azaniumyl]-3-phenyl-propanoate

Systemtic Name: (2R)-2-[[(2R)-2-methyl-2-oxidanyl-4-phenyl-but-3-ynyl]azaniumyl]-3-phenyl-propanoate Openeye Name: (2R)-2-[[(2R)-2-hydroxy-2-methyl-4-phenyl-but-3-ynyl]ammonio]-3-phenyl-propanoate CAS Name: (2R)-2-[[(2R)-2-hydroxy-2-methyl-4-phenylbut-3-ynyl]ammonio]-3-phenylpropanoate IUPAC Name: (2R)-2-[[(2R)-2-hydroxy-2-methyl-4-phenylbut-3-ynyl]azaniumyl]-3-phenylpropanoate Traditional Name: (2R)-2-[[(2R)-2-hydroxy-2-methyl-4-phenyl-but-3-ynyl]ammonio]-3-phenyl-propionate Formula: C20H21NO3 MolecularWeight: 323.38564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH2+]C(CC1=CC=CC=C1)C(=O)[O-])(C#CC2=CC=CC=C2)O

Isomeric SMILES

C[C@](C[NH2+][C@H](CC1=CC=CC=C1)C(=O)[O-])(C#CC2=CC=CC=C2)O

InChI

InChI=1S/C20H21NO3/c1-20(24,13-12-16-8-4-2-5-9-16)15-21-18(19(22)23)14-17-10-6-3-7-11-17/h2-11,18,21,24H,14-15H2,1H3,(H,22,23)/t18-,20-/m1/s1