2-[4-[[4-(4-ethoxycarbonylpiperazin-1-yl)phenyl]carbamoyl]piperidin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[[4-(4-ethoxycarbonylpiperazin-1-yl)phenyl]carbamoyl]piperidin-1-yl]ethanoic acid Openeye Name: 2-[4-[[4-(4-ethoxycarbonylpiperazin-1-yl)phenyl]carbamoyl]-1-piperidyl]acetic acid CAS Name: 2-[4-[[4-(4-ethoxycarbonyl-1-piperazinyl)anilino]-oxomethyl]-1-piperidinyl]acetic acid IUPAC Name: 2-[4-[[4-(4-ethoxycarbonylpiperazin-1-yl)phenyl]carbamoyl]piperidin-1-yl]acetic acid Traditional Name: 2-[4-[[4-(4-carbethoxypiperazino)phenyl]carbamoyl]piperidino]acetic acid Formula: C21H30N4O5 MolecularWeight: 418.4867

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)CC(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)CC(=O)O

InChI

InChI=1S/C21H30N4O5/c1-2-30-21(29)25-13-11-24(12-14-25)18-5-3-17(4-6-18)22-20(28)16-7-9-23(10-8-16)15-19(26)27/h3-6,16H,2,7-15H2,1H3,(H,22,28)(H,26,27)