2-[butoxy-(4-methoxyphenyl)phosphoryl]-N-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[butoxy-(4-methoxyphenyl)phosphoryl]-N-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[butoxy-(4-methoxyphenyl)phosphoryl]-3,4-dihydro-1H-isoquinoline-3-carbohydroxamic acid CAS Name: 2-[butoxy-(4-methoxyphenyl)phosphoryl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[butoxy-(4-methoxyphenyl)phosphoryl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[butoxy-(4-methoxyphenyl)phosphoryl]-3,4-dihydro-1H-isoquinoline-3-carbohydroxamic acid Formula: C21H27N2O5P MolecularWeight: 418.423241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOP(=O)(C1=CC=C(C=C1)OC)N2CC3=CC=CC=C3CC2C(=O)NO

Isomeric SMILES

CCCCOP(=O)(C1=CC=C(C=C1)OC)N2CC3=CC=CC=C3CC2C(=O)NO

InChI

InChI=1S/C21H27N2O5P/c1-3-4-13-28-29(26,19-11-9-18(27-2)10-12-19)23-15-17-8-6-5-7-16(17)14-20(23)21(24)22-25/h5-12,20,25H,3-4,13-15H2,1-2H3,(H,22,24)