ethyl (2E)-3-[(4-bromophenyl)amino]-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-3-oxidanylidene-propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1C2=CC=CC=C2CC(N1)(C)C)C(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)/C(=C/1\C2=CC=CC=C2CC(N1)(C)C)/C(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H23BrN2O3/c1-4-28-21(27)18(20(26)24-16-11-9-15(23)10-12-16)19-17-8-6-5-7-14(17)13-22(2,3)25-19/h5-12,25H,4,13H2,1-3H3,(H,24,26)/b19-18+