1-[4-(2-diethylaminoethyloxy)-3-methoxy-phenyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol

Systemtic Name: 1-[4-(2-diethylaminoethyloxy)-3-methoxy-phenyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol Openeye Name: 1-[4-(2-diethylaminoethyloxy)-3-methoxy-phenyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol CAS Name: 1-[4-(2-diethylaminoethyloxy)-3-methoxyphenyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol IUPAC Name: 1-[4-(2-diethylaminoethyloxy)-3-methoxyphenyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol Traditional Name: 1-[4-(2-diethylaminoethyloxy)-3-methoxy-phenyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=C(C=C(C=C1)C2C3=CC(=C(C=C3CCN2)O)O)OC

Isomeric SMILES

CCN(CC)CCOC1=C(C=C(C=C1)C2C3=CC(=C(C=C3CCN2)O)O)OC

InChI

InChI=1S/C22H30N2O4/c1-4-24(5-2)10-11-28-20-7-6-16(13-21(20)27-3)22-17-14-19(26)18(25)12-15(17)8-9-23-22/h6-7,12-14,22-23,25-26H,4-5,8-11H2,1-3H3