[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-methyl-3-oxidanyl-benzoate

Systemtic Name: [(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-methyl-3-oxidanyl-benzoate Openeye Name: [(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 3-hydroxy-4-methyl-benzoate CAS Name: 3-hydroxy-4-methylbenzoic acid [(2S)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 3-hydroxy-4-methylbenzoate Traditional Name: 3-hydroxy-4-methyl-benzoic acid [(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C17H23NO4 MolecularWeight: 305.36882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)N2CCCCCC2)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@@H](C)C(=O)N2CCCCCC2)O

InChI

InChI=1S/C17H23NO4/c1-12-7-8-14(11-15(12)19)17(21)22-13(2)16(20)18-9-5-3-4-6-10-18/h7-8,11,13,19H,3-6,9-10H2,1-2H3/t13-/m0/s1