ethyl 4-[[(2R)-2-cyano-2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(2R)-2-cyano-2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethanoyl]amino]benzoate Openeye Name: ethyl 4-[[(2R)-2-cyano-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetyl]amino]benzoate CAS Name: 4-[[(2R)-2-cyano-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2R)-2-cyano-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[(2R)-2-cyano-2-(3,3-dimethyl-4H-isoquinolin-1-yl)acetyl]amino]benzoic acid ethyl ester Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C#N)C2=NC(CC3=CC=CC=C32)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@@H](C#N)C2=NC(CC3=CC=CC=C32)(C)C

InChI

InChI=1S/C23H23N3O3/c1-4-29-22(28)15-9-11-17(12-10-15)25-21(27)19(14-24)20-18-8-6-5-7-16(18)13-23(2,3)26-20/h5-12,19H,4,13H2,1-3H3,(H,25,27)/t19-/m0/s1