[2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-phenoxybenzoate

Systemtic Name: [2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-phenoxybenzoate Openeye Name: [2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-oxo-ethyl] 3-phenoxybenzoate CAS Name: 3-phenoxybenzoic acid [2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] 3-phenoxybenzoate Traditional Name: 3-phenoxybenzoic acid [2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H22N2O4/c1-19-11-13-21(14-12-19)27(16-6-15-26)24(28)18-30-25(29)20-7-5-10-23(17-20)31-22-8-3-2-4-9-22/h2-5,7-14,17H,6,16,18H2,1H3