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

Systemtic Name: 2-[(3R,4S)-1-cyclohexylcarbonyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]piperidin-4-yl]ethanoic acid Openeye Name: 2-[(3R,4S)-1-(cyclohexanecarbonyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]-4-piperidyl]acetic acid CAS Name: 2-[(3R,4S)-1-[cyclohexyl(oxo)methyl]-3-[2-(4-phenyl-1-piperazinyl)ethyl]-4-piperidinyl]acetic acid IUPAC Name: 2-[(3R,4S)-1-(cyclohexanecarbonyl)-3-[2-(4-phenylpiperazin-1-yl)ethyl]piperidin-4-yl]acetic acid Traditional Name: 2-[(3R,4S)-1-(cyclohexanecarbonyl)-3-[2-(4-phenylpiperazino)ethyl]-4-piperidyl]acetic acid Formula: C26H39N3O3 MolecularWeight: 441.60616

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCC(C(C2)CCN3CCN(CC3)C4=CC=CC=C4)CC(=O)O

Isomeric SMILES

C1CCC(CC1)C(=O)N2CC[C@H]([C@H](C2)CCN3CCN(CC3)C4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C26H39N3O3/c30-25(31)19-22-12-14-29(26(32)21-7-3-1-4-8-21)20-23(22)11-13-27-15-17-28(18-16-27)24-9-5-2-6-10-24/h2,5-6,9-10,21-23H,1,3-4,7-8,11-20H2,(H,30,31)/t22-,23-/m0/s1