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

Systemtic Name: 2-[hexoxy-(4-methoxyphenyl)phosphoryl]-N-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[hexoxy-(4-methoxyphenyl)phosphoryl]-3,4-dihydro-1H-isoquinoline-3-carbohydroxamic acid CAS Name: 2-[hexoxy-(4-methoxyphenyl)phosphoryl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[hexoxy-(4-methoxyphenyl)phosphoryl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[hexoxy-(4-methoxyphenyl)phosphoryl]-3,4-dihydro-1H-isoquinoline-3-carbohydroxamic acid Formula: C23H31N2O5P MolecularWeight: 446.476401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N2O5P/c1-3-4-5-8-15-30-31(28,21-13-11-20(29-2)12-14-21)25-17-19-10-7-6-9-18(19)16-22(25)23(26)24-27/h6-7,9-14,22,27H,3-5,8,15-17H2,1-2H3,(H,24,26)