methyl 3-[2-[4-(3-aminocarbonyl-1-adamantyl)phenoxy]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[4-(3-aminocarbonyl-1-adamantyl)phenoxy]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[4-(3-carbamoyl-1-adamantyl)phenoxy]acetyl]amino]benzoate CAS Name: 3-[[2-[4-(3-carbamoyl-1-adamantyl)phenoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(3-carbamoyl-1-adamantyl)phenoxy]acetyl]amino]benzoate Traditional Name: 3-[[2-[4-(3-carbamoyl-1-adamantyl)phenoxy]acetyl]amino]benzoic acid methyl ester Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)(C4)C(=O)N

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)(C4)C(=O)N

InChI

InChI=1S/C27H30N2O5/c1-33-24(31)19-3-2-4-21(10-19)29-23(30)15-34-22-7-5-20(6-8-22)26-11-17-9-18(12-26)14-27(13-17,16-26)25(28)32/h2-8,10,17-18H,9,11-16H2,1H3,(H2,28,32)(H,29,30)