N-[4-(3,4-dihydro-1H-isochromen-1-ylmethylcarbamoyl)phenyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[4-(3,4-dihydro-1H-isochromen-1-ylmethylcarbamoyl)phenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[4-(isochroman-1-ylmethylcarbamoyl)phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[4-[(3,4-dihydro-1H-2-benzopyran-1-ylmethylamino)-oxomethyl]phenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[4-(3,4-dihydro-1H-isochromen-1-ylmethylcarbamoyl)phenyl]-3,4-dimethoxybenzamide Traditional Name: N-[4-(isochroman-1-ylmethylcarbamoyl)phenyl]-3,4-dimethoxy-benzamide Formula: C26H26N2O5 MolecularWeight: 446.49504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NCC3C4=CC=CC=C4CCO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NCC3C4=CC=CC=C4CCO3)OC

InChI

InChI=1S/C26H26N2O5/c1-31-22-12-9-19(15-23(22)32-2)26(30)28-20-10-7-18(8-11-20)25(29)27-16-24-21-6-4-3-5-17(21)13-14-33-24/h3-12,15,24H,13-14,16H2,1-2H3,(H,27,29)(H,28,30)