ethyl 2-[(7-cyano-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]ethanoate

Systemtic Name: ethyl 2-[(7-cyano-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]ethanoate Openeye Name: ethyl 2-[(7-cyano-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]acetate CAS Name: 2-[(7-cyano-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(7-cyano-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]acetate Traditional Name: 2-[(7-cyano-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]acetic acid ethyl ester Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(C=C(C(=C2C1)NCC(=O)OCC)C#N)C3=CC=CC=C3

Isomeric SMILES

CCN1CCC2=C(C=C(C(=C2C1)NCC(=O)OCC)C#N)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O2/c1-3-25-11-10-18-19(16-8-6-5-7-9-16)12-17(13-23)22(20(18)15-25)24-14-21(26)27-4-2/h5-9,12,24H,3-4,10-11,14-15H2,1-2H3