[2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]ethyl] 2-oxidanylbenzoate

Systemtic Name: [2-oxidanylidene-2-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]ethyl] 2-oxidanylbenzoate Openeye Name: [2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxo-ethyl] 2-hydroxybenzoate CAS Name: 2-hydroxybenzoic acid [2-oxo-2-[4-[4-(phenylmethyl)-1-piperazinyl]anilino]ethyl] ester IUPAC Name: [2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl] 2-hydroxybenzoate Traditional Name: 2-hydroxybenzoic acid [2-[4-(4-benzylpiperazino)anilino]-2-keto-ethyl] ester Formula: C26H27N3O4 MolecularWeight: 445.51028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)COC(=O)C4=CC=CC=C4O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)COC(=O)C4=CC=CC=C4O

InChI

InChI=1S/C26H27N3O4/c30-24-9-5-4-8-23(24)26(32)33-19-25(31)27-21-10-12-22(13-11-21)29-16-14-28(15-17-29)18-20-6-2-1-3-7-20/h1-13,30H,14-19H2,(H,27,31)