[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] 3-acetamidobenzoate

Systemtic Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] 3-acetamidobenzoate Openeye Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxo-ethyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-keto-ethyl] ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC(=CC=C4)NC(=O)C

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC(=CC=C4)NC(=O)C

InChI

InChI=1S/C23H30N2O4/c1-14(23-10-16-6-17(11-23)8-18(7-16)12-23)24-21(27)13-29-22(28)19-4-3-5-20(9-19)25-15(2)26/h3-5,9,14,16-18H,6-8,10-13H2,1-2H3,(H,24,27)(H,25,26)/t14-,16?,17?,18?,23?/m1/s1