N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-pyrrol-1-yl-benzamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-pyrrol-1-yl-benzamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-pyrrol-1-yl-benzamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(1-pyrrolyl)benzamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-pyrrol-1-ylbenzamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-pyrrol-1-yl-benzamide Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)C3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)CNC(=O)C3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C20H18N2O3/c23-20(15-7-9-16(10-8-15)22-11-3-4-12-22)21-13-17-14-24-18-5-1-2-6-19(18)25-17/h1-12,17H,13-14H2,(H,21,23)/t17-/m0/s1