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

Systemtic Name: ethyl 6-azanyl-5,7,7-tricyano-8-(3-methoxy-4-propan-2-yloxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: ethyl 6-amino-5,7,7-tricyano-8-(4-isopropoxy-3-methoxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: 6-amino-5,7,7-tricyano-8-(3-methoxy-4-propan-2-yloxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5,7,7-tricyano-8-(3-methoxy-4-propan-2-yloxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: 6-amino-5,7,7-tricyano-8-(4-isopropoxy-3-methoxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=C(C=C3)OC(C)C)OC

Isomeric SMILES

CCOC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=C(C=C3)OC(C)C)OC

InChI

InChI=1S/C25H27N5O4/c1-5-33-24(31)30-9-8-17-18(11-26)23(29)25(13-27,14-28)22(19(17)12-30)16-6-7-20(34-15(2)3)21(10-16)32-4/h6-8,10,15,19,22H,5,9,12,29H2,1-4H3