[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl] 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate

Systemtic Name: [2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl] 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate Openeye Name: [2-(4-isopropylanilino)-2-oxo-ethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid [2-oxo-2-(4-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid (2-cumidino-2-keto-ethyl) ester Formula: C23H31NO4 MolecularWeight: 385.49654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)COC(=O)CC23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)COC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)O

InChI

InChI=1S/C23H31NO4/c1-15(2)18-3-5-19(6-4-18)24-20(25)13-28-21(26)12-22-8-16-7-17(9-22)11-23(27,10-16)14-22/h3-6,15-17,27H,7-14H2,1-2H3,(H,24,25)/t16-,17+,22?,23?