1-(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 1-(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline Openeye Name: 1-(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline CAS Name: 1-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 1-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline Traditional Name: 1-(3-bromo-5-methoxy-4-propargyloxy-phenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline Formula: C23H26BrNO4 MolecularWeight: 460.36084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(NCCC2=C1)C3=CC(=C(C(=C3)Br)OCC#C)OC)OCC

Isomeric SMILES

CCOC1=C(C=C2C(NCCC2=C1)C3=CC(=C(C(=C3)Br)OCC#C)OC)OCC

InChI

InChI=1S/C23H26BrNO4/c1-5-10-29-23-18(24)11-16(13-21(23)26-4)22-17-14-20(28-7-3)19(27-6-2)12-15(17)8-9-25-22/h1,11-14,22,25H,6-10H2,2-4H3