ethyl 4-(3-isocyanato-3-methyl-butyl)benzoate

Systemtic Name: ethyl 4-(3-isocyanato-3-methyl-butyl)benzoate Openeye Name: ethyl 4-(3-isocyanato-3-methyl-butyl)benzoate CAS Name: 4-(3-isocyanato-3-methylbutyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(3-isocyanato-3-methylbutyl)benzoate Traditional Name: 4-(3-isocyanato-3-methyl-butyl)benzoic acid ethyl ester Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CCC(C)(C)N=C=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CCC(C)(C)N=C=O

InChI

InChI=1S/C15H19NO3/c1-4-19-14(18)13-7-5-12(6-8-13)9-10-15(2,3)16-11-17/h5-8H,4,9-10H2,1-3H3