methyl 4-[[4-[(1-adamantylcarbonylamino)methyl]phenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[4-[(1-adamantylcarbonylamino)methyl]phenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[4-[(adamantane-1-carbonylamino)methyl]benzoyl]amino]benzoate CAS Name: 4-[[[4-[[[1-adamantyl(oxo)methyl]amino]methyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(adamantane-1-carbonylamino)methyl]benzoyl]amino]benzoate Traditional Name: 4-[[4-[(adamantane-1-carbonylamino)methyl]benzoyl]amino]benzoic acid methyl ester Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H30N2O4/c1-33-25(31)22-6-8-23(9-7-22)29-24(30)21-4-2-17(3-5-21)16-28-26(32)27-13-18-10-19(14-27)12-20(11-18)15-27/h2-9,18-20H,10-16H2,1H3,(H,28,32)(H,29,30)