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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4/c1-4-5-6-8-13(2)19-17(22)12-24-18(23)15-9-7-10-16(11-15)20-14(3)21/h7,9-11,13H,4-6,8,12H2,1-3H3,(H,19,22)(H,20,21)/t13-/m0/s1