methyl 4-[[2-(1-adamantyl)ethanoylamino]carbamoyl]benzoate

Systemtic Name: methyl 4-[[2-(1-adamantyl)ethanoylamino]carbamoyl]benzoate Openeye Name: methyl 4-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]benzoate CAS Name: 4-[[[2-(1-adamantyl)-1-oxoethyl]hydrazo]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]benzoate Traditional Name: 4-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]benzoic acid methyl ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NNC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NNC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H26N2O4/c1-27-20(26)17-4-2-16(3-5-17)19(25)23-22-18(24)12-21-9-13-6-14(10-21)8-15(7-13)11-21/h2-5,13-15H,6-12H2,1H3,(H,22,24)(H,23,25)