[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester IUPAC Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC2COC3=CC=CC=C3O2

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OC[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C21H24N2O5/c1-14(2)23-21(25)22-11-15-7-9-16(10-8-15)20(24)27-13-17-12-26-18-5-3-4-6-19(18)28-17/h3-10,14,17H,11-13H2,1-2H3,(H2,22,23,25)/t17-/m1/s1