[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 3-methoxybenzoate

Systemtic Name: [(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl] 3-methoxybenzoate Openeye Name: [(1S)-2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [(2S)-1-[2-(1-cyclohexenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [(1S)-2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C19H25NO4 MolecularWeight: 331.4061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CCCCC1)OC(=O)C2=CC(=CC=C2)OC

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CCCCC1)OC(=O)C2=CC(=CC=C2)OC

InChI

InChI=1S/C19H25NO4/c1-14(18(21)20-12-11-15-7-4-3-5-8-15)24-19(22)16-9-6-10-17(13-16)23-2/h6-7,9-10,13-14H,3-5,8,11-12H2,1-2H3,(H,20,21)/t14-/m0/s1