5-[1-[(4-cyanophenyl)amino]-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-2,3-dimethoxy-benzoate

Systemtic Name: 5-[1-[(4-cyanophenyl)amino]-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-2,3-dimethoxy-benzoate Openeye Name: 5-[2-(benzylamino)-1-(4-cyanoanilino)-2-oxo-ethyl]-2,3-dimethoxy-benzoate CAS Name: 5-[1-(4-cyanoanilino)-2-oxo-2-[(phenylmethyl)amino]ethyl]-2,3-dimethoxybenzoate IUPAC Name: 5-[2-(benzylamino)-1-(4-cyanoanilino)-2-oxoethyl]-2,3-dimethoxybenzoate Traditional Name: 5-[2-(benzylamino)-1-(4-cyanoanilino)-2-keto-ethyl]-2,3-dimethoxy-benzoate Formula: C25H22N3O5- MolecularWeight: 444.45928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(C(=O)NCC2=CC=CC=C2)NC3=CC=C(C=C3)C#N)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(C(=O)NCC2=CC=CC=C2)NC3=CC=C(C=C3)C#N)C(=O)[O-])OC

InChI

InChI=1S/C25H23N3O5/c1-32-21-13-18(12-20(25(30)31)23(21)33-2)22(28-19-10-8-16(14-26)9-11-19)24(29)27-15-17-6-4-3-5-7-17/h3-13,22,28H,15H2,1-2H3,(H,27,29)(H,30,31)/p-1