[2-[[(2S)-octan-2-yl]amino]-2-oxidanylidene-ethyl] 4-acetamidobenzoate

Systemtic Name: [2-[[(2S)-octan-2-yl]amino]-2-oxidanylidene-ethyl] 4-acetamidobenzoate Openeye Name: [2-[[(1S)-1-methylheptyl]amino]-2-oxo-ethyl] 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic acid [2-[[(2S)-octan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-octan-2-yl]amino]-2-oxoethyl] 4-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid [2-keto-2-[[(1S)-1-methylheptyl]amino]ethyl] ester Formula: C19H28N2O4 MolecularWeight: 348.43662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(=O)COC(=O)C1=CC=C(C=C1)NC(=O)C

Isomeric SMILES

CCCCCC[C@H](C)NC(=O)COC(=O)C1=CC=C(C=C1)NC(=O)C

InChI

InChI=1S/C19H28N2O4/c1-4-5-6-7-8-14(2)20-18(23)13-25-19(24)16-9-11-17(12-10-16)21-15(3)22/h9-12,14H,4-8,13H2,1-3H3,(H,20,23)(H,21,22)/t14-/m0/s1