2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-[(4-methoxyphenyl)carbonylamino]benzoic acid

Systemtic Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-[(4-methoxyphenyl)carbonylamino]benzoic acid Openeye Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]benzoic acid CAS Name: 2-[4-(2,5-dimethylphenyl)-1-piperazinyl]-5-[[(4-methoxyphenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]benzoic acid Traditional Name: 2-[4-(2,5-dimethylphenyl)piperazino]-5-(p-anisoylamino)benzoic acid Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)OC)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)OC)C(=O)O

InChI

InChI=1S/C27H29N3O4/c1-18-4-5-19(2)25(16-18)30-14-12-29(13-15-30)24-11-8-21(17-23(24)27(32)33)28-26(31)20-6-9-22(34-3)10-7-20/h4-11,16-17H,12-15H2,1-3H3,(H,28,31)(H,32,33)