2-[1-(carboxymethyl)-4-[4-(4-cyanophenyl)piperazin-1-yl]piperidin-3-yl]ethanoic acid

Systemtic Name: 2-[1-(carboxymethyl)-4-[4-(4-cyanophenyl)piperazin-1-yl]piperidin-3-yl]ethanoic acid Openeye Name: 2-[1-(carboxymethyl)-4-[4-(4-cyanophenyl)piperazin-1-yl]-3-piperidyl]acetic acid CAS Name: 2-[1-(carboxymethyl)-4-[4-(4-cyanophenyl)-1-piperazinyl]-3-piperidinyl]acetic acid IUPAC Name: 2-[1-(carboxymethyl)-4-[4-(4-cyanophenyl)piperazin-1-yl]piperidin-3-yl]acetic acid Traditional Name: 2-[1-(carboxymethyl)-4-[4-(4-cyanophenyl)piperazino]-3-piperidyl]acetic acid Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1N2CCN(CC2)C3=CC=C(C=C3)C#N)CC(=O)O)CC(=O)O

Isomeric SMILES

C1CN(CC(C1N2CCN(CC2)C3=CC=C(C=C3)C#N)CC(=O)O)CC(=O)O

InChI

InChI=1S/C20H26N4O4/c21-12-15-1-3-17(4-2-15)23-7-9-24(10-8-23)18-5-6-22(14-20(27)28)13-16(18)11-19(25)26/h1-4,16,18H,5-11,13-14H2,(H,25,26)(H,27,28)