[2-[(3-azanyl-3-oxidanylidene-propyl)-phenyl-amino]-2-oxidanylidene-ethyl] 3-(2-methylpropoxy)benzoate

Systemtic Name: [2-[(3-azanyl-3-oxidanylidene-propyl)-phenyl-amino]-2-oxidanylidene-ethyl] 3-(2-methylpropoxy)benzoate Openeye Name: [2-(N-(3-amino-3-oxo-propyl)anilino)-2-oxo-ethyl] 3-isobutoxybenzoate CAS Name: 3-(2-methylpropoxy)benzoic acid [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 3-(2-methylpropoxy)benzoate Traditional Name: 3-isobutoxybenzoic acid [2-(N-(3-amino-3-keto-propyl)anilino)-2-keto-ethyl] ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)OCC(=O)N(CCC(=O)N)C2=CC=CC=C2

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)OCC(=O)N(CCC(=O)N)C2=CC=CC=C2

InChI

InChI=1S/C22H26N2O5/c1-16(2)14-28-19-10-6-7-17(13-19)22(27)29-15-21(26)24(12-11-20(23)25)18-8-4-3-5-9-18/h3-10,13,16H,11-12,14-15H2,1-2H3,(H2,23,25)