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

Systemtic Name: methyl 3-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[4-(3-chlorobenzyl)piperazino]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C22H26ClN3O3 MolecularWeight: 415.91314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2CCN(CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2CCN(CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H26ClN3O3/c1-16-6-7-18(22(28)29-2)13-20(16)24-21(27)15-26-10-8-25(9-11-26)14-17-4-3-5-19(23)12-17/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,24,27)