methyl 5-azanyl-2-[(3,5-dimethoxyphenyl)-methyl-amino]-4-(4-pyridin-2-ylpiperazin-1-yl)benzoate

Systemtic Name: methyl 5-azanyl-2-[(3,5-dimethoxyphenyl)-methyl-amino]-4-(4-pyridin-2-ylpiperazin-1-yl)benzoate Openeye Name: methyl 5-amino-2-(3,5-dimethoxy-N-methyl-anilino)-4-[4-(2-pyridyl)piperazin-1-yl]benzoate CAS Name: 5-amino-2-(3,5-dimethoxy-N-methylanilino)-4-[4-(2-pyridinyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 5-amino-2-(3,5-dimethoxy-N-methylanilino)-4-(4-pyridin-2-ylpiperazin-1-yl)benzoate Traditional Name: 5-amino-2-(3,5-dimethoxy-N-methyl-anilino)-4-[4-(2-pyridyl)piperazino]benzoic acid methyl ester Formula: C26H31N5O4 MolecularWeight: 477.55544

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC(=CC(=C1)OC)OC)C2=CC(=C(C=C2C(=O)OC)N)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CN(C1=CC(=CC(=C1)OC)OC)C2=CC(=C(C=C2C(=O)OC)N)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C26H31N5O4/c1-29(18-13-19(33-2)15-20(14-18)34-3)23-17-24(22(27)16-21(23)26(32)35-4)30-9-11-31(12-10-30)25-7-5-6-8-28-25/h5-8,13-17H,9-12,27H2,1-4H3