[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C23H31NO4 MolecularWeight: 385.49654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)CC23CC4CC(C2)CC(C4)(C3)O)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)C

InChI

InChI=1S/C23H31NO4/c1-3-18-6-4-5-15(2)21(18)24-19(25)13-28-20(26)12-22-8-16-7-17(9-22)11-23(27,10-16)14-22/h4-6,16-17,27H,3,7-14H2,1-2H3,(H,24,25)/t16-,17+,22?,23?