tert-butyl N-[1-cyclohexyl-3-oxidanyl-7-(4-phenylmethoxyphenyl)heptan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-cyclohexyl-3-oxidanyl-7-(4-phenylmethoxyphenyl)heptan-2-yl]carbamate Openeye Name: tert-butyl N-[6-(4-benzyloxyphenyl)-1-(cyclohexylmethyl)-2-hydroxy-hexyl]carbamate CAS Name: N-[1-cyclohexyl-3-hydroxy-7-(4-phenylmethoxyphenyl)heptan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-cyclohexyl-3-hydroxy-7-(4-phenylmethoxyphenyl)heptan-2-yl]carbamate Traditional Name: N-[6-(4-benzoxyphenyl)-1-(cyclohexylmethyl)-2-hydroxy-hexyl]carbamic acid tert-butyl ester Formula: C31H45NO4 MolecularWeight: 495.6933

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1CCCCC1)C(CCCCC2=CC=C(C=C2)OCC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1CCCCC1)C(CCCCC2=CC=C(C=C2)OCC3=CC=CC=C3)O

InChI

InChI=1S/C31H45NO4/c1-31(2,3)36-30(34)32-28(22-25-13-6-4-7-14-25)29(33)17-11-10-12-24-18-20-27(21-19-24)35-23-26-15-8-5-9-16-26/h5,8-9,15-16,18-21,25,28-29,33H,4,6-7,10-14,17,22-23H2,1-3H3,(H,32,34)