2-[2-(2-phenyl-2-adamantyl)ethanoylamino]ethyl 4-nitrobenzoate

Systemtic Name: 2-[2-(2-phenyl-2-adamantyl)ethanoylamino]ethyl 4-nitrobenzoate Openeye Name: 2-[[2-(2-phenyl-2-adamantyl)acetyl]amino]ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-[[1-oxo-2-(2-phenyl-2-adamantyl)ethyl]amino]ethyl ester IUPAC Name: 2-[[2-(2-phenyl-2-adamantyl)acetyl]amino]ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-[[2-(2-phenyl-2-adamantyl)acetyl]amino]ethyl ester Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3(CC(=O)NCCOC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)C3(CC(=O)NCCOC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C27H30N2O5/c30-25(28-10-11-34-26(31)20-6-8-24(9-7-20)29(32)33)17-27(21-4-2-1-3-5-21)22-13-18-12-19(15-22)16-23(27)14-18/h1-9,18-19,22-23H,10-17H2,(H,28,30)