[2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxidanylidene-ethyl] 3-acetamidobenzoate

Systemtic Name: [2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxidanylidene-ethyl] 3-acetamidobenzoate Openeye Name: [2-[[(1S)-1,4-dimethylpentyl]amino]-2-oxo-ethyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethyl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [2-[[(1S)-1,4-dimethylpentyl]amino]-2-keto-ethyl] ester Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4/c1-12(2)8-9-13(3)19-17(22)11-24-18(23)15-6-5-7-16(10-15)20-14(4)21/h5-7,10,12-13H,8-9,11H2,1-4H3,(H,19,22)(H,20,21)/t13-/m0/s1