[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-3-methyl-benzoate

Systemtic Name: [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-3-methyl-benzoate Openeye Name: [2-[1-adamantyl(2-furylmethyl)amino]-2-oxo-ethyl] 2-acetamido-3-methyl-benzoate CAS Name: 2-acetamido-3-methylbenzoic acid [2-[1-adamantyl(2-furanylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-acetamido-3-methylbenzoate Traditional Name: 2-acetamido-3-methyl-benzoic acid [2-[1-adamantyl(2-furfuryl)amino]-2-keto-ethyl] ester Formula: C27H32N2O5 MolecularWeight: 464.55338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NC(=O)C)C(=O)OCC(=O)N(CC2=CC=CO2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CC(=C1NC(=O)C)C(=O)OCC(=O)N(CC2=CC=CO2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H32N2O5/c1-17-5-3-7-23(25(17)28-18(2)30)26(32)34-16-24(31)29(15-22-6-4-8-33-22)27-12-19-9-20(13-27)11-21(10-19)14-27/h3-8,19-21H,9-16H2,1-2H3,(H,28,30)