1-(5-chloranyl-4-methyl-2-phenylmethoxy-phenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 1-(5-chloranyl-4-methyl-2-phenylmethoxy-phenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline Openeye Name: 1-(2-benzyloxy-5-chloro-4-methyl-phenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline CAS Name: 1-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 1-(5-chloro-4-methyl-2-phenylmethoxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline Traditional Name: 1-(2-benzoxy-5-chloro-4-methyl-phenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline Formula: C27H30ClNO3 MolecularWeight: 451.985

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(NCCC2=C1)C3=CC(=C(C=C3OCC4=CC=CC=C4)C)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C2C(NCCC2=C1)C3=CC(=C(C=C3OCC4=CC=CC=C4)C)Cl)OCC

InChI

InChI=1S/C27H30ClNO3/c1-4-30-25-14-20-11-12-29-27(21(20)16-26(25)31-5-2)22-15-23(28)18(3)13-24(22)32-17-19-9-7-6-8-10-19/h6-10,13-16,27,29H,4-5,11-12,17H2,1-3H3