5-[(2S)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propoxy]-8aH-naphthalen-1-one

Systemtic Name: 5-[(2S)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanyl-propoxy]-8aH-naphthalen-1-one Openeye Name: 5-[(2S)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxy-propoxy]-8aH-naphthalen-1-one CAS Name: 5-[(2S)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-8aH-naphthalen-1-one IUPAC Name: 5-[(2S)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-8aH-naphthalen-1-one Traditional Name: 5-[(2S)-3-(homoveratrylamino)-2-hydroxy-propoxy]-8aH-naphthalen-1-one Formula: C23H27NO5 MolecularWeight: 397.46418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC(COC2=CC=CC3C2=CC=CC3=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC[C@@H](COC2=CC=CC3C2=CC=CC3=O)O)OC

InChI

InChI=1S/C23H27NO5/c1-27-22-10-9-16(13-23(22)28-2)11-12-24-14-17(25)15-29-21-8-4-5-18-19(21)6-3-7-20(18)26/h3-10,13,17-18,24-25H,11-12,14-15H2,1-2H3/t17-,18?/m0/s1