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

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methyl-3-pyrrol-1-yl-benzamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methyl-3-pyrrol-1-yl-benzamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methyl-3-(1-pyrrolyl)benzamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methyl-3-pyrrol-1-ylbenzamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methyl-3-pyrrol-1-yl-benzamide Formula: C21H20N2O3 MolecularWeight: 348.3951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC2COC3=CC=CC=C3O2)N4C=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC[C@H]2COC3=CC=CC=C3O2)N4C=CC=C4

InChI

InChI=1S/C21H20N2O3/c1-15-8-9-16(12-18(15)23-10-4-5-11-23)21(24)22-13-17-14-25-19-6-2-3-7-20(19)26-17/h2-12,17H,13-14H2,1H3,(H,22,24)/t17-/m0/s1