[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-methoxybenzoate

Systemtic Name: [(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-methoxybenzoate Openeye Name: [(1S)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(1S)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H17NO6 MolecularWeight: 343.33068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H17NO6/c1-11(25-18(21)12-3-6-14(22-2)7-4-12)17(20)19-13-5-8-15-16(9-13)24-10-23-15/h3-9,11H,10H2,1-2H3,(H,19,20)/t11-/m0/s1