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methyl (3S)-3-isocyanato-3-(4-propan-2-ylphenyl)propanoate

methyl (3S)-3-isocyanato-3-(4-propan-2-ylphenyl)propanoate

Systemtic Name:methyl (3S)-3-isocyanato-3-(4-propan-2-ylphenyl)propanoate
Openeye Name:methyl (3S)-3-isocyanato-3-(4-isopropylphenyl)propanoate
CAS Name:(3S)-3-isocyanato-3-(4-propan-2-ylphenyl)propanoic acid methyl ester
IUPAC Name:methyl (3S)-3-isocyanato-3-(4-propan-2-ylphenyl)propanoate
Traditional Name:(3S)-3-isocyanato-3-p-cumenyl-propionic acid methyl ester
Formula: C14H17NO3
MolecularWeight: 247.28968
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(CC(=O)OC)N=C=O


Isomeric SMILES

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


InChI

InChI=1S/C14H17NO3/c1-10(2)11-4-6-12(7-5-11)13(15-9-16)8-14(17)18-3/h4-7,10,13H,8H2,1-3H3/t13-/m0/s1


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