tert-butyl N-[[4-[[2-(ethoxycarbonylamino)-4-methyl-pentyl]carbamoyl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[[2-(ethoxycarbonylamino)-4-methyl-pentyl]carbamoyl]phenyl]methyl]carbamate Openeye Name: ethyl N-[1-[[[4-[(tert-butoxycarbonylamino)methyl]benzoyl]amino]methyl]-3-methyl-butyl]carbamate CAS Name: N-[[4-[[[2-(ethoxycarbonylamino)-4-methylpentyl]amino]-oxomethyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[[2-(ethoxycarbonylamino)-4-methylpentyl]carbamoyl]phenyl]methyl]carbamate Traditional Name: N-[1-[[[4-[(tert-butoxycarbonylamino)methyl]benzoyl]amino]methyl]-3-methyl-butyl]carbamic acid ethyl ester Formula: C22H35N3O5 MolecularWeight: 421.5304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(CC(C)C)CNC(=O)C1=CC=C(C=C1)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)NC(CC(C)C)CNC(=O)C1=CC=C(C=C1)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C22H35N3O5/c1-7-29-21(28)25-18(12-15(2)3)14-23-19(26)17-10-8-16(9-11-17)13-24-20(27)30-22(4,5)6/h8-11,15,18H,7,12-14H2,1-6H3,(H,23,26)(H,24,27)(H,25,28)