[2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(9-oxidanylideneacridin-10-yl)ethanoate

Systemtic Name: [2-[2-cyanoethyl-(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(9-oxidanylideneacridin-10-yl)ethanoate Openeye Name: [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-oxo-ethyl] 2-(9-oxoacridin-10-yl)acetate CAS Name: 2-(9-oxo-10-acridinyl)acetic acid [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl] 2-(9-oxoacridin-10-yl)acetate Traditional Name: 2-(9-ketoacridin-10-yl)acetic acid [2-[N-(2-cyanoethyl)-3,5-dimethyl-anilino]-2-keto-ethyl] ester Formula: C28H25N3O4 MolecularWeight: 467.5158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)CN2C3=CC=CC=C3C(=O)C4=CC=CC=C42)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)COC(=O)CN2C3=CC=CC=C3C(=O)C4=CC=CC=C42)C

InChI

InChI=1S/C28H25N3O4/c1-19-14-20(2)16-21(15-19)30(13-7-12-29)26(32)18-35-27(33)17-31-24-10-5-3-8-22(24)28(34)23-9-4-6-11-25(23)31/h3-6,8-11,14-16H,7,13,17-18H2,1-2H3