[2-(azepan-1-yl)-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-methyl-butanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-methyl-butanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] (2S)-2-benzamido-3-methyl-butanoate CAS Name: (2S)-2-benzamido-3-methylbutanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate Traditional Name: (2S)-2-benzamido-3-methyl-butyric acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N1CCCCCC1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)N1CCCCCC1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H28N2O4/c1-15(2)18(21-19(24)16-10-6-5-7-11-16)20(25)26-14-17(23)22-12-8-3-4-9-13-22/h5-7,10-11,15,18H,3-4,8-9,12-14H2,1-2H3,(H,21,24)/t18-/m0/s1