(3R)-3-(3-methylbut-2-enoylamino)-3-phenyl-propanoate

Systemtic Name: (3R)-3-(3-methylbut-2-enoylamino)-3-phenyl-propanoate Openeye Name: (3R)-3-(3-methylbut-2-enoylamino)-3-phenyl-propanoate CAS Name: (3R)-3-[(3-methyl-1-oxobut-2-enyl)amino]-3-phenylpropanoate IUPAC Name: (3R)-3-(3-methylbut-2-enoylamino)-3-phenylpropanoate Traditional Name: (3R)-3-(3-methylbut-2-enoylamino)-3-phenyl-propionate Formula: C14H16NO3- MolecularWeight: 246.28174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC(CC(=O)[O-])C1=CC=CC=C1)C

Isomeric SMILES

CC(=CC(=O)N[C@H](CC(=O)[O-])C1=CC=CC=C1)C

InChI

InChI=1S/C14H17NO3/c1-10(2)8-13(16)15-12(9-14(17)18)11-6-4-3-5-7-11/h3-8,12H,9H2,1-2H3,(H,15,16)(H,17,18)/p-1/t12-/m1/s1