6-[3-(tert-butylamino)-2-oxidanyl-propoxy]-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde

Systemtic Name: 6-[3-(tert-butylamino)-2-oxidanyl-propoxy]-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde Openeye Name: 6-[3-(tert-butylamino)-2-hydroxy-propoxy]-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde CAS Name: 6-[3-(tert-butylamino)-2-hydroxypropoxy]-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxaldehyde IUPAC Name: 6-[3-(tert-butylamino)-2-hydroxypropoxy]-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde Traditional Name: 6-[3-(tert-butylamino)-2-hydroxy-propoxy]-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde Formula: C18H28N2O4 MolecularWeight: 336.42592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=C(C=C2CN(CCC2=C1)C=O)OC)O

Isomeric SMILES

CC(C)(C)NCC(COC1=C(C=C2CN(CCC2=C1)C=O)OC)O

InChI

InChI=1S/C18H28N2O4/c1-18(2,3)19-9-15(22)11-24-17-7-13-5-6-20(12-21)10-14(13)8-16(17)23-4/h7-8,12,15,19,22H,5-6,9-11H2,1-4H3