tert-butyl N-[5-[(3-methoxy-4-oxidanyl-phenyl)carbonylamino]-4-oxidanyl-1,6-diphenyl-hexan-2-yl]carbamate

Systemtic Name: tert-butyl N-[5-[(3-methoxy-4-oxidanyl-phenyl)carbonylamino]-4-oxidanyl-1,6-diphenyl-hexan-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzyl-3-hydroxy-4-[(4-hydroxy-3-methoxy-benzoyl)amino]-5-phenyl-pentyl]carbamate CAS Name: N-[4-hydroxy-5-[[(4-hydroxy-3-methoxyphenyl)-oxomethyl]amino]-1,6-diphenylhexan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-hydroxy-5-[(4-hydroxy-3-methoxybenzoyl)amino]-1,6-diphenylhexan-2-yl]carbamate Traditional Name: N-[1-benzyl-3-hydroxy-5-phenyl-4-(vanilloylamino)pentyl]carbamic acid tert-butyl ester Formula: C31H38N2O6 MolecularWeight: 534.64322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)CC(C(CC2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)O)OC)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)CC(C(CC2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)O)OC)O

InChI

InChI=1S/C31H38N2O6/c1-31(2,3)39-30(37)32-24(17-21-11-7-5-8-12-21)20-27(35)25(18-22-13-9-6-10-14-22)33-29(36)23-15-16-26(34)28(19-23)38-4/h5-16,19,24-25,27,34-35H,17-18,20H2,1-4H3,(H,32,37)(H,33,36)