[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]-4-methyl-pentanoate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]-4-methyl-pentanoate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 2-[(4-chlorobenzoyl)amino]-4-methyl-pentanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-4-methylpentanoic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-4-methyl-valeric acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC(=O)NC1=CC=CC(=C1)C#N)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)CC(C(=O)OCC(=O)NC1=CC=CC(=C1)C#N)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H22ClN3O4/c1-14(2)10-19(26-21(28)16-6-8-17(23)9-7-16)22(29)30-13-20(27)25-18-5-3-4-15(11-18)12-24/h3-9,11,14,19H,10,13H2,1-2H3,(H,25,27)(H,26,28)