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tert-butyl 6-azanyl-5,7,7-tricyano-8-(3-ethoxy-4-propan-2-yloxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate

tert-butyl 6-azanyl-5,7,7-tricyano-8-(3-ethoxy-4-propan-2-yloxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate

Systemtic Name:tert-butyl 6-azanyl-5,7,7-tricyano-8-(3-ethoxy-4-propan-2-yloxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Openeye Name:tert-butyl 6-amino-5,7,7-tricyano-8-(3-ethoxy-4-isopropoxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
CAS Name:6-amino-5,7,7-tricyano-8-(3-ethoxy-4-propan-2-yloxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester
IUPAC Name:tert-butyl 6-amino-5,7,7-tricyano-8-(3-ethoxy-4-propan-2-yloxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Traditional Name:6-amino-5,7,7-tricyano-8-(3-ethoxy-4-isopropoxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester
Formula: C28H33N5O4
MolecularWeight: 503.59272
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OC(C)(C)C)OC(C)C


Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OC(C)(C)C)OC(C)C


InChI

InChI=1S/C28H33N5O4/c1-7-35-23-12-18(8-9-22(23)36-17(2)3)24-21-14-33(26(34)37-27(4,5)6)11-10-19(21)20(13-29)25(32)28(24,15-30)16-31/h8-10,12,17,21,24H,7,11,14,32H2,1-6H3


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