2-[(3R,4S)-1-ethanoyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]piperidin-4-yl]ethanoic acid

Systemtic Name: 2-[(3R,4S)-1-ethanoyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]piperidin-4-yl]ethanoic acid Openeye Name: 2-[(3R,4S)-1-acetyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-4-piperidyl]acetic acid CAS Name: 2-[(3R,4S)-1-acetyl-3-[2-(4-phenyl-1-piperazinyl)ethyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[(3R,4S)-1-acetyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]piperidin-4-yl]acetic acid Traditional Name: 2-[(3R,4S)-1-acetyl-3-[2-(4-phenylpiperazino)ethyl]-4-piperidyl]acetic acid Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(C(C1)CCN2CCN(CC2)C3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CC(=O)N1CC[C@H]([C@H](C1)CCN2CCN(CC2)C3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C21H31N3O3/c1-17(25)24-10-8-18(15-21(26)27)19(16-24)7-9-22-11-13-23(14-12-22)20-5-3-2-4-6-20/h2-6,18-19H,7-16H2,1H3,(H,26,27)/t18-,19-/m0/s1