methyl 4-[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[4-[(4-isopropylphenyl)methyl]piperazin-1-yl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazinyl]ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[4-(4-isopropylbenzyl)piperazino]acetyl]amino]methyl]benzoic acid methyl ester Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O3/c1-19(2)22-8-6-21(7-9-22)17-27-12-14-28(15-13-27)18-24(29)26-16-20-4-10-23(11-5-20)25(30)31-3/h4-11,19H,12-18H2,1-3H3,(H,26,29)