ethyl (2S)-3-[(2-bromophenyl)amino]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-3-oxidanylidene-propanoate

Systemtic Name: ethyl (2S)-3-[(2-bromophenyl)amino]-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-3-oxidanylidene-propanoate Openeye Name: ethyl (2S)-3-(2-bromoanilino)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-3-oxo-propanoate CAS Name: (2S)-3-(2-bromoanilino)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-(2-bromoanilino)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-3-oxopropanoate Traditional Name: (2S)-3-(2-bromoanilino)-2-(3,3-dimethyl-4H-isoquinolin-1-yl)-3-keto-propionic acid ethyl ester Formula: C22H23BrN2O3 MolecularWeight: 443.33362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=NC(CC2=CC=CC=C21)(C)C)C(=O)NC3=CC=CC=C3Br

Isomeric SMILES

CCOC(=O)[C@@H](C1=NC(CC2=CC=CC=C21)(C)C)C(=O)NC3=CC=CC=C3Br

InChI

InChI=1S/C22H23BrN2O3/c1-4-28-21(27)18(20(26)24-17-12-8-7-11-16(17)23)19-15-10-6-5-9-14(15)13-22(2,3)25-19/h5-12,18H,4,13H2,1-3H3,(H,24,26)/t18-/m0/s1