methyl 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]benzoate Openeye Name: methyl 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]benzoate CAS Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]benzoate Traditional Name: 4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]benzoic acid methyl ester Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NCC2COC3=CC=CC=C3O2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C18H17NO5/c1-22-18(21)13-8-6-12(7-9-13)17(20)19-10-14-11-23-15-4-2-3-5-16(15)24-14/h2-9,14H,10-11H2,1H3,(H,19,20)/t14-/m0/s1