3-[[4-[[3-(1-adamantyl)phenyl]methoxy]phenyl]methoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[3-(1-adamantyl)phenyl]methoxy]phenyl]methoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 3-[[4-[[3-(1-adamantyl)phenyl]methoxy]phenyl]methoxy]-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: 3-[[4-[[3-(1-adamantyl)phenyl]methoxy]phenyl]methoxy]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[3-(1-adamantyl)phenyl]methoxy]phenyl]methoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-[4-[3-(1-adamantyl)benzyl]oxybenzyl]oxy-2-(tert-butoxycarbonylamino)propionic acid Formula: C32H41NO6 MolecularWeight: 535.67104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(COCC1=CC=C(C=C1)OCC2=CC=CC(=C2)C34CC5CC(C3)CC(C5)C4)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(COCC1=CC=C(C=C1)OCC2=CC=CC(=C2)C34CC5CC(C3)CC(C5)C4)C(=O)O

InChI

InChI=1S/C32H41NO6/c1-31(2,3)39-30(36)33-28(29(34)35)20-37-18-21-7-9-27(10-8-21)38-19-22-5-4-6-26(14-22)32-15-23-11-24(16-32)13-25(12-23)17-32/h4-10,14,23-25,28H,11-13,15-20H2,1-3H3,(H,33,36)(H,34,35)