4-[6-[(1-cyclohexyl-2-oxidanylidene-pyrrolidin-3-yl)methyl]naphthalen-1-yl]benzoic acid

Systemtic Name: 4-[6-[(1-cyclohexyl-2-oxidanylidene-pyrrolidin-3-yl)methyl]naphthalen-1-yl]benzoic acid Openeye Name: 4-[6-[(1-cyclohexyl-2-oxo-pyrrolidin-3-yl)methyl]-1-naphthyl]benzoic acid CAS Name: 4-[6-[(1-cyclohexyl-2-oxo-3-pyrrolidinyl)methyl]-1-naphthalenyl]benzoic acid IUPAC Name: 4-[6-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]naphthalen-1-yl]benzoic acid Traditional Name: 4-[6-[(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=CC4=C(C=C3)C(=CC=C4)C5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1CCC(CC1)N2CCC(C2=O)CC3=CC4=C(C=C3)C(=CC=C4)C5=CC=C(C=C5)C(=O)O

InChI

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