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

Systemtic Name: 2-[(3R,4S)-1-cyclopropylcarbonyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]piperidin-4-yl]ethanoic acid Openeye Name: 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]-4-piperidyl]acetic acid CAS Name: 2-[(3R,4S)-1-[cyclopropyl(oxo)methyl]-3-[2-(4-phenyl-1-piperazinyl)ethyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]piperidin-4-yl]acetic acid Traditional Name: 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[2-(4-phenylpiperazino)ethyl]-4-piperidyl]acetic acid Formula: C23H33N3O3 MolecularWeight: 399.52642

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCC(C(C2)CCN3CCN(CC3)C4=CC=CC=C4)CC(=O)O

Isomeric SMILES

C1CN(C[C@@H]([C@@H]1CC(=O)O)CCN2CCN(CC2)C3=CC=CC=C3)C(=O)C4CC4

InChI

InChI=1S/C23H33N3O3/c27-22(28)16-19-9-11-26(23(29)18-6-7-18)17-20(19)8-10-24-12-14-25(15-13-24)21-4-2-1-3-5-21/h1-5,18-20H,6-17H2,(H,27,28)/t19-,20-/m0/s1