[4-[2-[5-[(3-methylphenyl)amino]-5-oxidanylidene-pentanoyl]oxyethanoyl]phenyl] benzoate

Systemtic Name: [4-[2-[5-[(3-methylphenyl)amino]-5-oxidanylidene-pentanoyl]oxyethanoyl]phenyl] benzoate Openeye Name: [4-[2-[5-(3-methylanilino)-5-oxo-pentanoyl]oxyacetyl]phenyl] benzoate CAS Name: benzoic acid [4-[2-[5-(3-methylanilino)-1,5-dioxopentoxy]-1-oxoethyl]phenyl] ester IUPAC Name: [4-[2-[5-(3-methylanilino)-5-oxopentanoyl]oxyacetyl]phenyl] benzoate Traditional Name: benzoic acid [4-[2-[5-keto-5-(m-toluidino)pentanoyl]oxyacetyl]phenyl] ester Formula: C27H25NO6 MolecularWeight: 459.4905

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25NO6/c1-19-7-5-10-22(17-19)28-25(30)11-6-12-26(31)33-18-24(29)20-13-15-23(16-14-20)34-27(32)21-8-3-2-4-9-21/h2-5,7-10,13-17H,6,11-12,18H2,1H3,(H,28,30)