methyl 2-[[4-[(3-acetamido-1-adamantyl)carbonylamino]phenyl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[4-[(3-acetamido-1-adamantyl)carbonylamino]phenyl]carbonylamino]ethanoate Openeye Name: methyl 2-[[4-[(3-acetamidoadamantane-1-carbonyl)amino]benzoyl]amino]acetate CAS Name: 2-[[[4-[[(3-acetamido-1-adamantyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[(3-acetamidoadamantane-1-carbonyl)amino]benzoyl]amino]acetate Traditional Name: 2-[[4-[(3-acetamidoadamantane-1-carbonyl)amino]benzoyl]amino]acetic acid methyl ester Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NC4=CC=C(C=C4)C(=O)NCC(=O)OC

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NC4=CC=C(C=C4)C(=O)NCC(=O)OC

InChI

InChI=1S/C23H29N3O5/c1-14(27)26-23-10-15-7-16(11-23)9-22(8-15,13-23)21(30)25-18-5-3-17(4-6-18)20(29)24-12-19(28)31-2/h3-6,15-16H,7-13H2,1-2H3,(H,24,29)(H,25,30)(H,26,27)