5-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3,4-dihydro-1H-isoquinoline-2-carbaldehyde; ethanoic acid

Systemtic Name: 5-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3,4-dihydro-1H-isoquinoline-2-carbaldehyde; ethanoic acid Openeye Name: acetic acid; 5-[3-(tert-butylamino)-2-hydroxy-propoxy]-3,4-dihydro-1H-isoquinoline-2-carbaldehyde CAS Name: acetic acid; 5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-isoquinoline-2-carboxaldehyde IUPAC Name: acetic acid; 5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-1H-isoquinoline-2-carbaldehyde Traditional Name: acetic acid; 5-[3-(tert-butylamino)-2-hydroxy-propoxy]-3,4-dihydro-1H-isoquinoline-2-carbaldehyde Formula: C19H30N2O5 MolecularWeight: 366.4519

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(C)(C)NCC(COC1=CC=CC2=C1CCN(C2)C=O)O

Isomeric SMILES

CC(=O)O.CC(C)(C)NCC(COC1=CC=CC2=C1CCN(C2)C=O)O

InChI

InChI=1S/C17H26N2O3.C2H4O2/c1-17(2,3)18-9-14(21)11-22-16-6-4-5-13-10-19(12-20)8-7-15(13)16;1-2(3)4/h4-6,12,14,18,21H,7-11H2,1-3H3;1H3,(H,3,4)