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

Systemtic Name: tert-butyl 6-azanyl-5,7,7-tricyano-8-(3-methoxy-4-propoxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: tert-butyl 6-amino-5,7,7-tricyano-8-(3-methoxy-4-propoxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: 6-amino-5,7,7-tricyano-8-(3-methoxy-4-propoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-amino-5,7,7-tricyano-8-(3-methoxy-4-propoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: 6-amino-5,7,7-tricyano-8-(3-methoxy-4-propoxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid tert-butyl ester Formula: C27H31N5O4 MolecularWeight: 489.56614

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OC(C)(C)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OC(C)(C)C)OC

InChI

InChI=1S/C27H31N5O4/c1-6-11-35-21-8-7-17(12-22(21)34-5)23-20-14-32(25(33)36-26(2,3)4)10-9-18(20)19(13-28)24(31)27(23,15-29)16-30/h7-9,12,20,23H,6,10-11,14,31H2,1-5H3