2-[2-[4-(1-adamantyl)phenoxy]ethanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[2-[4-(1-adamantyl)phenoxy]ethanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[4-(1-adamantyl)phenoxy]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]-3-methyl-butyric acid Formula: C23H31NO4 MolecularWeight: 385.49654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3

InChI

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