8-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: 8-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[(4-isopropoxyphenyl)methyl]-8-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: 8-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: 8-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-(4-isopropoxybenzyl)-8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C(=O)NCC3=CC=C(C=C3)OC(C)C)OCCCO2

Isomeric SMILES

CC1=CC2=C(C=C1C(=O)NCC3=CC=C(C=C3)OC(C)C)OCCCO2

InChI

InChI=1S/C21H25NO4/c1-14(2)26-17-7-5-16(6-8-17)13-22-21(23)18-12-20-19(11-15(18)3)24-9-4-10-25-20/h5-8,11-12,14H,4,9-10,13H2,1-3H3,(H,22,23)