4-[4-[[(3R)-1-cyclohexyl-2-oxidanylidene-pyrrolidin-3-yl]methyl]naphthalen-1-yl]benzoic acid

Systemtic Name: 4-[4-[[(3R)-1-cyclohexyl-2-oxidanylidene-pyrrolidin-3-yl]methyl]naphthalen-1-yl]benzoic acid Openeye Name: 4-[4-[[(3R)-1-cyclohexyl-2-oxo-pyrrolidin-3-yl]methyl]-1-naphthyl]benzoic acid CAS Name: 4-[4-[[(3R)-1-cyclohexyl-2-oxo-3-pyrrolidinyl]methyl]-1-naphthalenyl]benzoic acid IUPAC Name: 4-[4-[[(3R)-1-cyclohexyl-2-oxopyrrolidin-3-yl]methyl]naphthalen-1-yl]benzoic acid Traditional Name: 4-[4-[[(3R)-1-cyclohexyl-2-keto-pyrrolidin-3-yl]methyl]-1-naphthyl]benzoic acid Formula: C28H29NO3 MolecularWeight: 427.53476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCC(C2=O)CC3=CC=C(C4=CC=CC=C34)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1CCC(CC1)N2CC[C@H](C2=O)CC3=CC=C(C4=CC=CC=C34)C5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C28H29NO3/c30-27-22(16-17-29(27)23-6-2-1-3-7-23)18-21-14-15-25(26-9-5-4-8-24(21)26)19-10-12-20(13-11-19)28(31)32/h4-5,8-15,22-23H,1-3,6-7,16-18H2,(H,31,32)/t22-/m0/s1