ethyl 2-methoxy-4-[4-(phenylmethyl)piperazin-2-yl]benzoate

Systemtic Name: ethyl 2-methoxy-4-[4-(phenylmethyl)piperazin-2-yl]benzoate Openeye Name: ethyl 4-(4-benzylpiperazin-2-yl)-2-methoxy-benzoate CAS Name: 2-methoxy-4-[4-(phenylmethyl)-2-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-2-yl)-2-methoxybenzoate Traditional Name: 4-(4-benzylpiperazin-2-yl)-2-methoxy-benzoic acid ethyl ester Formula: C21H26N2O3 MolecularWeight: 354.44274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(C=C1)C2CN(CCN2)CC3=CC=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)C2CN(CCN2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H26N2O3/c1-3-26-21(24)18-10-9-17(13-20(18)25-2)19-15-23(12-11-22-19)14-16-7-5-4-6-8-16/h4-10,13,19,22H,3,11-12,14-15H2,1-2H3