(3S)-N-(2-methoxy-4-pyridin-4-yl-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3S)-N-(2-methoxy-4-pyridin-4-yl-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-[2-methoxy-4-(4-pyridyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-(2-methoxy-4-pyridin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-(2-methoxy-4-pyridin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-[2-methoxy-4-(4-pyridyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC=NC=C2)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC=NC=C2)NC(=O)[C@@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H18N2O4/c1-25-19-12-15(14-8-10-22-11-9-14)6-7-16(19)23-21(24)20-13-26-17-4-2-3-5-18(17)27-20/h2-12,20H,13H2,1H3,(H,23,24)/t20-/m0/s1