2-[1-(cyclohexylcarbamoyl)-4,6-bis(phenylmethyl)piperazin-2-yl]ethanoic acid

Systemtic Name: 2-[1-(cyclohexylcarbamoyl)-4,6-bis(phenylmethyl)piperazin-2-yl]ethanoic acid Openeye Name: 2-[4,6-dibenzyl-1-(cyclohexylcarbamoyl)piperazin-2-yl]acetic acid CAS Name: 2-[1-[(cyclohexylamino)-oxomethyl]-4,6-bis(phenylmethyl)-2-piperazinyl]acetic acid IUPAC Name: 2-[4,6-dibenzyl-1-(cyclohexylcarbamoyl)piperazin-2-yl]acetic acid Traditional Name: 2-[4,6-dibenzyl-1-(cyclohexylcarbamoyl)piperazin-2-yl]acetic acid Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N2C(CN(CC2CC(=O)O)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)N2C(CN(CC2CC(=O)O)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H35N3O3/c31-26(32)17-25-20-29(18-22-12-6-2-7-13-22)19-24(16-21-10-4-1-5-11-21)30(25)27(33)28-23-14-8-3-9-15-23/h1-2,4-7,10-13,23-25H,3,8-9,14-20H2,(H,28,33)(H,31,32)