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

Systemtic Name: [4-[2-[5-[(3-methylphenyl)amino]-5-oxidanylidene-pentanoyl]oxyethanoyl]phenyl] 3-methoxybenzoate Openeye Name: [4-[2-[5-(3-methylanilino)-5-oxo-pentanoyl]oxyacetyl]phenyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [4-[2-[5-(3-methylanilino)-1,5-dioxopentoxy]-1-oxoethyl]phenyl] ester IUPAC Name: [4-[2-[5-(3-methylanilino)-5-oxopentanoyl]oxyacetyl]phenyl] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [4-[2-[5-keto-5-(m-toluidino)pentanoyl]oxyacetyl]phenyl] ester Formula: C28H27NO7 MolecularWeight: 489.51648

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H27NO7/c1-19-6-3-8-22(16-19)29-26(31)10-5-11-27(32)35-18-25(30)20-12-14-23(15-13-20)36-28(33)21-7-4-9-24(17-21)34-2/h3-4,6-9,12-17H,5,10-11,18H2,1-2H3,(H,29,31)