2-[2-phenylmethoxyethanoyl-[4-[(4-piperazin-1-ylphenyl)carbonylamino]phenyl]amino]ethanoic acid

Systemtic Name: 2-[2-phenylmethoxyethanoyl-[4-[(4-piperazin-1-ylphenyl)carbonylamino]phenyl]amino]ethanoic acid Openeye Name: 2-[N-(2-benzyloxyacetyl)-4-[(4-piperazin-1-ylbenzoyl)amino]anilino]acetic acid CAS Name: 2-[N-(1-oxo-2-phenylmethoxyethyl)-4-[[oxo-[4-(1-piperazinyl)phenyl]methyl]amino]anilino]acetic acid IUPAC Name: 2-[N-(2-phenylmethoxyacetyl)-4-[(4-piperazin-1-ylbenzoyl)amino]anilino]acetic acid Traditional Name: 2-[N-(2-benzoxyacetyl)-4-[(4-piperazinobenzoyl)amino]anilino]acetic acid Formula: C28H30N4O5 MolecularWeight: 502.5616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)N(CC(=O)O)C(=O)COCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)N(CC(=O)O)C(=O)COCC4=CC=CC=C4

InChI

InChI=1S/C28H30N4O5/c33-26(20-37-19-21-4-2-1-3-5-21)32(18-27(34)35)25-12-8-23(9-13-25)30-28(36)22-6-10-24(11-7-22)31-16-14-29-15-17-31/h1-13,29H,14-20H2,(H,30,36)(H,34,35)