benzoic acid; methyl 2-[2-(1-adamantyl)-4-formamido-phenoxy]ethanoate

Systemtic Name: benzoic acid; methyl 2-[2-(1-adamantyl)-4-formamido-phenoxy]ethanoate Openeye Name: benzoic acid; methyl 2-[2-(1-adamantyl)-4-formamido-phenoxy]acetate CAS Name: 2-[2-(1-adamantyl)-4-formamidophenoxy]acetic acid methyl ester; benzoic acid IUPAC Name: benzoic acid; methyl 2-[2-(1-adamantyl)-4-formamidophenoxy]acetate Traditional Name: 2-[2-(1-adamantyl)-4-formamido-phenoxy]acetic acid methyl ester; benzoic acid Formula: C27H31NO6 MolecularWeight: 465.53814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO4.C7H6O2/c1-24-19(23)11-25-18-3-2-16(21-12-22)7-17(18)20-8-13-4-14(9-20)6-15(5-13)10-20;8-7(9)6-4-2-1-3-5-6/h2-3,7,12-15H,4-6,8-11H2,1H3,(H,21,22);1-5H,(H,8,9)