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

Systemtic Name: 3-[[6-[(1-cyclohexyl-2-oxidanylidene-pyrrolidin-3-yl)methyl]naphthalen-2-yl]oxymethyl]benzoic acid Openeye Name: 3-[[6-[(1-cyclohexyl-2-oxo-pyrrolidin-3-yl)methyl]-2-naphthyl]oxymethyl]benzoic acid CAS Name: 3-[[6-[(1-cyclohexyl-2-oxo-3-pyrrolidinyl)methyl]-2-naphthalenyl]oxymethyl]benzoic acid IUPAC Name: 3-[[6-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]naphthalen-2-yl]oxymethyl]benzoic acid Traditional Name: 3-[[6-[(1-cyclohexyl-2-keto-pyrrolidin-3-yl)methyl]-2-naphthoxy]methyl]benzoic acid Formula: C29H31NO4 MolecularWeight: 457.56074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCC(C2=O)CC3=CC4=C(C=C3)C=C(C=C4)OCC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1CCC(CC1)N2CCC(C2=O)CC3=CC4=C(C=C3)C=C(C=C4)OCC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C29H31NO4/c31-28-24(13-14-30(28)26-7-2-1-3-8-26)16-20-9-10-23-18-27(12-11-22(23)15-20)34-19-21-5-4-6-25(17-21)29(32)33/h4-6,9-12,15,17-18,24,26H,1-3,7-8,13-14,16,19H2,(H,32,33)