(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-(1-adamantylcarbonylamino)benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-(1-adamantylcarbonylamino)benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-(adamantane-1-carbonylamino)benzoate CAS Name: 4-[[1-adamantyl(oxo)methyl]amino]benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-(adamantane-1-carbonylamino)benzoate Traditional Name: 4-(adamantane-1-carbonylamino)benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H27N3O4/c1-14(26)20(12-25)21(28)13-31-22(29)18-2-4-19(5-3-18)27-23(30)24-9-15-6-16(10-24)8-17(7-15)11-24/h2-5,15-17,20,26H,6-11,13H2,1H3,(H,27,30)