ethyl 3-azanyl-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-azanyl-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoate Openeye Name: ethyl 3-amino-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoate CAS Name: 3-amino-4-[4-(2,5-dimethylphenyl)-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-amino-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoate Traditional Name: 3-amino-4-[4-(2,5-dimethylphenyl)piperazino]benzoic acid ethyl ester Formula: C21H27N3O2 MolecularWeight: 353.45798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=C(C=CC(=C3)C)C)N

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=C(C=CC(=C3)C)C)N

InChI

InChI=1S/C21H27N3O2/c1-4-26-21(25)17-7-8-19(18(22)14-17)23-9-11-24(12-10-23)20-13-15(2)5-6-16(20)3/h5-8,13-14H,4,9-12,22H2,1-3H3