[2-[[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-propyl-amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[[2-[(2-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-propyl-amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[[2-(2-methoxyanilino)-2-oxo-ethyl]-propyl-amino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-2-[[2-keto-2-(o-anisidino)ethyl]-propyl-amino]ethyl] ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC=CC=C1OC)C(=O)COC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCN(CC(=O)NC1=CC=CC=C1OC)C(=O)COC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C22H23N3O5/c1-3-12-25(14-20(26)24-18-6-4-5-7-19(18)29-2)21(27)15-30-22(28)17-10-8-16(13-23)9-11-17/h4-11H,3,12,14-15H2,1-2H3,(H,24,26)