2-methoxyethyl 3-azanyl-4-[[3-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]benzoate

Systemtic Name: 2-methoxyethyl 3-azanyl-4-[[3-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]benzoate Openeye Name: 2-methoxyethyl 3-amino-4-[3-(4-benzylpiperazin-1-yl)anilino]benzoate CAS Name: 3-amino-4-[3-[4-(phenylmethyl)-1-piperazinyl]anilino]benzoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 3-amino-4-[3-(4-benzylpiperazin-1-yl)anilino]benzoate Traditional Name: 3-amino-4-[3-(4-benzylpiperazino)anilino]benzoic acid 2-methoxyethyl ester Formula: C27H32N4O3 MolecularWeight: 460.56798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)N3CCN(CC3)CC4=CC=CC=C4)N

Isomeric SMILES

COCCOC(=O)C1=CC(=C(C=C1)NC2=CC=CC(=C2)N3CCN(CC3)CC4=CC=CC=C4)N

InChI

InChI=1S/C27H32N4O3/c1-33-16-17-34-27(32)22-10-11-26(25(28)18-22)29-23-8-5-9-24(19-23)31-14-12-30(13-15-31)20-21-6-3-2-4-7-21/h2-11,18-19,29H,12-17,20,28H2,1H3