tert-butyl N-[4-methyl-1-[[5-methyl-3-oxidanyl-1-(phenylmethyl)azepan-4-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-methyl-1-[[5-methyl-3-oxidanyl-1-(phenylmethyl)azepan-4-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[(1-benzyl-3-hydroxy-5-methyl-azepan-4-yl)carbamoyl]-3-methyl-butyl]carbamate CAS Name: N-[1-[[3-hydroxy-5-methyl-1-(phenylmethyl)-4-azepanyl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[(1-benzyl-3-hydroxy-5-methylazepan-4-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[1-[(1-benzyl-3-hydroxy-5-methyl-azepan-4-yl)carbamoyl]-3-methyl-butyl]carbamic acid tert-butyl ester Formula: C25H41N3O4 MolecularWeight: 447.61074

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC(C1NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)O)CC2=CC=CC=C2

Isomeric SMILES

CC1CCN(CC(C1NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)O)CC2=CC=CC=C2

InChI

InChI=1S/C25H41N3O4/c1-17(2)14-20(26-24(31)32-25(4,5)6)23(30)27-22-18(3)12-13-28(16-21(22)29)15-19-10-8-7-9-11-19/h7-11,17-18,20-22,29H,12-16H2,1-6H3,(H,26,31)(H,27,30)