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

Systemtic Name: methyl 4-[[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[4-(m-tolylmethyl)piperazin-1-yl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[4-(3-methylbenzyl)piperazino]acetyl]amino]methyl]benzoic acid methyl ester Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)CC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)CC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H29N3O3/c1-18-4-3-5-20(14-18)16-25-10-12-26(13-11-25)17-22(27)24-15-19-6-8-21(9-7-19)23(28)29-2/h3-9,14H,10-13,15-17H2,1-2H3,(H,24,27)