methyl (3S)-3-(4-hexoxyphenyl)-3-isocyanato-propanoate

Systemtic Name: methyl (3S)-3-(4-hexoxyphenyl)-3-isocyanato-propanoate Openeye Name: methyl (3S)-3-(4-hexoxyphenyl)-3-isocyanato-propanoate CAS Name: (3S)-3-(4-hexoxyphenyl)-3-isocyanatopropanoic acid methyl ester IUPAC Name: methyl (3S)-3-(4-hexoxyphenyl)-3-isocyanatopropanoate Traditional Name: (3S)-3-(4-hexoxyphenyl)-3-isocyanato-propionic acid methyl ester Formula: C17H23NO4 MolecularWeight: 305.36882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(CC(=O)OC)N=C=O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)[C@H](CC(=O)OC)N=C=O

InChI

InChI=1S/C17H23NO4/c1-3-4-5-6-11-22-15-9-7-14(8-10-15)16(18-13-19)12-17(20)21-2/h7-10,16H,3-6,11-12H2,1-2H3/t16-/m0/s1