[4-[2-[5-[(4-bromanyl-3-methyl-phenyl)amino]-5-oxidanylidene-pentanoyl]oxyethanoyl]phenyl] 3-methoxybenzoate

Systemtic Name: [4-[2-[5-[(4-bromanyl-3-methyl-phenyl)amino]-5-oxidanylidene-pentanoyl]oxyethanoyl]phenyl] 3-methoxybenzoate Openeye Name: [4-[2-[5-(4-bromo-3-methyl-anilino)-5-oxo-pentanoyl]oxyacetyl]phenyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [4-[2-[5-(4-bromo-3-methylanilino)-1,5-dioxopentoxy]-1-oxoethyl]phenyl] ester IUPAC Name: [4-[2-[5-(4-bromo-3-methylanilino)-5-oxopentanoyl]oxyacetyl]phenyl] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [4-[2-[5-(4-bromo-3-methyl-anilino)-5-keto-pentanoyl]oxyacetyl]phenyl] ester Formula: C28H26BrNO7 MolecularWeight: 568.41254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)OC)Br

InChI

InChI=1S/C28H26BrNO7/c1-18-15-21(11-14-24(18)29)30-26(32)7-4-8-27(33)36-17-25(31)19-9-12-22(13-10-19)37-28(34)20-5-3-6-23(16-20)35-2/h3,5-6,9-16H,4,7-8,17H2,1-2H3,(H,30,32)