methyl 4-[2-[2-[4-(2-methylphenyl)piperazin-1-yl]ethanoylamino]phenyl]benzoate

Systemtic Name: methyl 4-[2-[2-[4-(2-methylphenyl)piperazin-1-yl]ethanoylamino]phenyl]benzoate Openeye Name: methyl 4-[2-[[2-[4-(o-tolyl)piperazin-1-yl]acetyl]amino]phenyl]benzoate CAS Name: 4-[2-[[2-[4-(2-methylphenyl)-1-piperazinyl]-1-oxoethyl]amino]phenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]amino]phenyl]benzoate Traditional Name: 4-[2-[[2-[4-(o-tolyl)piperazino]acetyl]amino]phenyl]benzoic acid methyl ester Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=CC=CC=C3C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=CC=CC=C3C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C27H29N3O3/c1-20-7-3-6-10-25(20)30-17-15-29(16-18-30)19-26(31)28-24-9-5-4-8-23(24)21-11-13-22(14-12-21)27(32)33-2/h3-14H,15-19H2,1-2H3,(H,28,31)