2-methylpropyl N-[N-[1-[(1-cyano-2-phenylmethoxy-ethyl)amino]-4,4-dimethyl-1-oxidanylidene-hexan-2-yl]-C-phenyl-carbonimidoyl]carbamate

Systemtic Name: 2-methylpropyl N-[N-[1-[(1-cyano-2-phenylmethoxy-ethyl)amino]-4,4-dimethyl-1-oxidanylidene-hexan-2-yl]-C-phenyl-carbonimidoyl]carbamate Openeye Name: isobutyl N-[N-[1-[(2-benzyloxy-1-cyano-ethyl)carbamoyl]-3,3-dimethyl-pentyl]-C-phenyl-carbonimidoyl]carbamate CAS Name: N-[[1-[(1-cyano-2-phenylmethoxyethyl)amino]-4,4-dimethyl-1-oxohexan-2-yl]imino-phenylmethyl]carbamic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl N-[N-[1-[(1-cyano-2-phenylmethoxyethyl)amino]-4,4-dimethyl-1-oxohexan-2-yl]-C-phenylcarbonimidoyl]carbamate Traditional Name: N-[N-[1-[(2-benzoxy-1-cyano-ethyl)carbamoyl]-3,3-dimethyl-pentyl]-C-phenyl-carbonimidoyl]carbamic acid isobutyl ester Formula: C30H40N4O4 MolecularWeight: 520.663

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)CC(C(=O)NC(COCC1=CC=CC=C1)C#N)N=C(C2=CC=CC=C2)NC(=O)OCC(C)C

Isomeric SMILES

CCC(C)(C)CC(C(=O)NC(COCC1=CC=CC=C1)C#N)N=C(C2=CC=CC=C2)NC(=O)OCC(C)C

InChI

InChI=1S/C30H40N4O4/c1-6-30(4,5)17-26(28(35)32-25(18-31)21-37-20-23-13-9-7-10-14-23)33-27(24-15-11-8-12-16-24)34-29(36)38-19-22(2)3/h7-16,22,25-26H,6,17,19-21H2,1-5H3,(H,32,35)(H,33,34,36)