[2-[(4-bromanyl-2,5-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-(naphthalen-1-ylamino)-5-oxidanylidene-pentanoate

Systemtic Name: [2-[(4-bromanyl-2,5-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-(naphthalen-1-ylamino)-5-oxidanylidene-pentanoate Openeye Name: [2-(4-bromo-2,5-dimethyl-anilino)-2-oxo-ethyl] 5-(1-naphthylamino)-5-oxo-pentanoate CAS Name: 5-(1-naphthalenylamino)-5-oxopentanoic acid [2-(4-bromo-2,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2,5-dimethylanilino)-2-oxoethyl] 5-(naphthalen-1-ylamino)-5-oxopentanoate Traditional Name: 5-keto-5-(1-naphthylamino)valeric acid [2-(4-bromo-2,5-dimethyl-anilino)-2-keto-ethyl] ester Formula: C25H25BrN2O4 MolecularWeight: 497.381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)NC(=O)COC(=O)CCCC(=O)NC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)NC(=O)COC(=O)CCCC(=O)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C25H25BrN2O4/c1-16-14-22(17(2)13-20(16)26)28-24(30)15-32-25(31)12-6-11-23(29)27-21-10-5-8-18-7-3-4-9-19(18)21/h3-5,7-10,13-14H,6,11-12,15H2,1-2H3,(H,27,29)(H,28,30)