methyl 3-[[3-[(3-methoxycarbonylphenyl)carbamoyl]-1-adamantyl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[3-[(3-methoxycarbonylphenyl)carbamoyl]-1-adamantyl]carbonylamino]benzoate Openeye Name: methyl 3-[[3-[(3-methoxycarbonylphenyl)carbamoyl]adamantane-1-carbonyl]amino]benzoate CAS Name: 3-[[[3-[(3-methoxycarbonylanilino)-oxomethyl]-1-adamantyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-[(3-methoxycarbonylphenyl)carbamoyl]adamantane-1-carbonyl]amino]benzoate Traditional Name: 3-[[3-[(3-carbomethoxyphenyl)carbamoyl]adamantane-1-carbonyl]amino]benzoic acid methyl ester Formula: C28H30N2O6 MolecularWeight: 490.5476

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)C(=O)NC5=CC=CC(=C5)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)C(=O)NC5=CC=CC(=C5)C(=O)OC

InChI

InChI=1S/C28H30N2O6/c1-35-23(31)19-5-3-7-21(10-19)29-25(33)27-12-17-9-18(13-27)15-28(14-17,16-27)26(34)30-22-8-4-6-20(11-22)24(32)36-2/h3-8,10-11,17-18H,9,12-16H2,1-2H3,(H,29,33)(H,30,34)