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

Systemtic Name: propyl 4-[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]ethanoylamino]benzoate Openeye Name: propyl 4-[[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]acetyl]amino]benzoate CAS Name: 4-[[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-1-oxoethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]acetyl]amino]benzoic acid propyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CN(C)CC2COC3=CC=CC=C3O2

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5/c1-3-12-27-22(26)16-8-10-17(11-9-16)23-21(25)14-24(2)13-18-15-28-19-6-4-5-7-20(19)29-18/h4-11,18H,3,12-15H2,1-2H3,(H,23,25)/t18-/m0/s1