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

Systemtic Name: methyl 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[4-(3-chlorophenyl)-1-piperazinyl]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[4-(3-chlorophenyl)piperazino]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H24ClN3O3/c1-15-6-7-16(21(27)28-2)12-19(15)23-20(26)14-24-8-10-25(11-9-24)18-5-3-4-17(22)13-18/h3-7,12-13H,8-11,14H2,1-2H3,(H,23,26)