(4-nitrophenyl)methyl 2-[[4-(1-adamantyl)phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: (4-nitrophenyl)methyl 2-[[4-(1-adamantyl)phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: (4-nitrophenyl)methyl 2-[[4-(1-adamantyl)benzoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[4-(1-adamantyl)phenyl]-oxomethyl]amino]-3-phenylpropanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[[4-(1-adamantyl)benzoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[4-(1-adamantyl)benzoyl]amino]-3-phenyl-propionic acid (4-nitrobenzyl) ester Formula: C33H34N2O5 MolecularWeight: 538.63346

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)C(=O)NC(CC5=CC=CC=C5)C(=O)OCC6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)C(=O)NC(CC5=CC=CC=C5)C(=O)OCC6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C33H34N2O5/c36-31(27-8-10-28(11-9-27)33-18-24-14-25(19-33)16-26(15-24)20-33)34-30(17-22-4-2-1-3-5-22)32(37)40-21-23-6-12-29(13-7-23)35(38)39/h1-13,24-26,30H,14-21H2,(H,34,36)