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

Systemtic Name: 5-azanyl-2-[(3,5-dimethoxyphenyl)-methyl-amino]-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid Openeye Name: 5-amino-2-(3,5-dimethoxy-N-methyl-anilino)-4-[4-(2-pyridyl)piperazin-1-yl]benzoic acid CAS Name: 5-amino-2-(3,5-dimethoxy-N-methylanilino)-4-[4-(2-pyridinyl)-1-piperazinyl]benzoic acid IUPAC Name: 5-amino-2-(3,5-dimethoxy-N-methylanilino)-4-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid Traditional Name: 5-amino-2-(3,5-dimethoxy-N-methyl-anilino)-4-[4-(2-pyridyl)piperazino]benzoic acid Formula: C25H29N5O4 MolecularWeight: 463.52886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O4/c1-28(17-12-18(33-2)14-19(13-17)34-3)22-16-23(21(26)15-20(22)25(31)32)29-8-10-30(11-9-29)24-6-4-5-7-27-24/h4-7,12-16H,8-11,26H2,1-3H3,(H,31,32)