[1-[(1-cyano-2-phenylmethoxy-ethyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl] N-tert-butylcarbamate

Systemtic Name: [1-[(1-cyano-2-phenylmethoxy-ethyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl] N-tert-butylcarbamate Openeye Name: [1-[(2-benzyloxy-1-cyano-ethyl)carbamoyl]-3-methyl-butyl] N-tert-butylcarbamate CAS Name: N-tert-butylcarbamic acid [1-[(1-cyano-2-phenylmethoxyethyl)amino]-4-methyl-1-oxopentan-2-yl] ester IUPAC Name: [1-[(1-cyano-2-phenylmethoxyethyl)amino]-4-methyl-1-oxopentan-2-yl] N-tert-butylcarbamate Traditional Name: N-tert-butylcarbamic acid [1-[(2-benzoxy-1-cyano-ethyl)carbamoyl]-3-methyl-butyl] ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(COCC1=CC=CC=C1)C#N)OC(=O)NC(C)(C)C

Isomeric SMILES

CC(C)CC(C(=O)NC(COCC1=CC=CC=C1)C#N)OC(=O)NC(C)(C)C

InChI

InChI=1S/C21H31N3O4/c1-15(2)11-18(28-20(26)24-21(3,4)5)19(25)23-17(12-22)14-27-13-16-9-7-6-8-10-16/h6-10,15,17-18H,11,13-14H2,1-5H3,(H,23,25)(H,24,26)