[(1R,3S)-5-(3-benzamidopropanoyloxy)-2-adamantyl] benzoate

Systemtic Name: [(1R,3S)-5-(3-benzamidopropanoyloxy)-2-adamantyl] benzoate Openeye Name: [(1R,3S)-5-(3-benzamidopropanoyloxy)-2-adamantyl] benzoate CAS Name: benzoic acid [(1R,3S)-5-(3-benzamido-1-oxopropoxy)-2-adamantyl] ester IUPAC Name: [(1R,3S)-5-(3-benzamidopropanoyloxy)-2-adamantyl] benzoate Traditional Name: benzoic acid [(1R,3S)-5-(3-benzamidopropanoyloxy)-2-adamantyl] ester Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC(C2)(CC1C3OC(=O)C4=CC=CC=C4)OC(=O)CCNC(=O)C5=CC=CC=C5

Isomeric SMILES

C1[C@@H]2CC3(C[C@@H](C2OC(=O)C4=CC=CC=C4)CC1C3)OC(=O)CCNC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H29NO5/c29-23(11-12-28-25(30)19-7-3-1-4-8-19)33-27-15-18-13-21(16-27)24(22(14-18)17-27)32-26(31)20-9-5-2-6-10-20/h1-10,18,21-22,24H,11-17H2,(H,28,30)/t18?,21-,22+,24?,27?