methyl 4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(m-tolyl)piperazin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[4-(3-methylphenyl)-1-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(m-tolyl)piperazino]acetyl]amino]benzoic acid methyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H25N3O3/c1-16-4-3-5-19(14-16)24-12-10-23(11-13-24)15-20(25)22-18-8-6-17(7-9-18)21(26)27-2/h3-9,14H,10-13,15H2,1-2H3,(H,22,25)