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

Systemtic Name: methyl 3-azanyl-4-[[3-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]benzoate Openeye Name: methyl 3-amino-4-[3-(4-benzylpiperazin-1-yl)anilino]benzoate CAS Name: 3-amino-4-[3-[4-(phenylmethyl)-1-piperazinyl]anilino]benzoic acid methyl ester IUPAC Name: methyl 3-amino-4-[3-(4-benzylpiperazin-1-yl)anilino]benzoate Traditional Name: 3-amino-4-[3-(4-benzylpiperazino)anilino]benzoic acid methyl ester Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O2/c1-31-25(30)20-10-11-24(23(26)16-20)27-21-8-5-9-22(17-21)29-14-12-28(13-15-29)18-19-6-3-2-4-7-19/h2-11,16-17,27H,12-15,18,26H2,1H3