2-[ethyl(phenyl)amino]ethyl N-(4-isocyanato-4-methyl-pentyl)carbamate

Systemtic Name: 2-[ethyl(phenyl)amino]ethyl N-(4-isocyanato-4-methyl-pentyl)carbamate Openeye Name: 2-(N-ethylanilino)ethyl N-(4-isocyanato-4-methyl-pentyl)carbamate CAS Name: N-(4-isocyanato-4-methylpentyl)carbamic acid 2-(N-ethylanilino)ethyl ester IUPAC Name: 2-(N-ethylanilino)ethyl N-(4-isocyanato-4-methylpentyl)carbamate Traditional Name: N-(4-isocyanato-4-methyl-pentyl)carbamic acid 2-(N-ethylanilino)ethyl ester Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCOC(=O)NCCCC(C)(C)N=C=O)C1=CC=CC=C1

Isomeric SMILES

CCN(CCOC(=O)NCCCC(C)(C)N=C=O)C1=CC=CC=C1

InChI

InChI=1S/C18H27N3O3/c1-4-21(16-9-6-5-7-10-16)13-14-24-17(23)19-12-8-11-18(2,3)20-15-22/h5-7,9-10H,4,8,11-14H2,1-3H3,(H,19,23)