3-tert-butyl-5-[[1-[1-(methylamino)-4-propan-2-yl-2-propyl-cyclohexyl]-2-oxidanylidene-pyrrolidin-3-yl]carbamoyl]benzoic acid

Systemtic Name: 3-tert-butyl-5-[[1-[1-(methylamino)-4-propan-2-yl-2-propyl-cyclohexyl]-2-oxidanylidene-pyrrolidin-3-yl]carbamoyl]benzoic acid Openeye Name: 3-tert-butyl-5-[[1-[4-isopropyl-1-(methylamino)-2-propyl-cyclohexyl]-2-oxo-pyrrolidin-3-yl]carbamoyl]benzoic acid CAS Name: 3-tert-butyl-5-[[[1-[1-(methylamino)-4-propan-2-yl-2-propylcyclohexyl]-2-oxo-3-pyrrolidinyl]amino]-oxomethyl]benzoic acid IUPAC Name: 3-tert-butyl-5-[[1-[1-(methylamino)-4-propan-2-yl-2-propylcyclohexyl]-2-oxopyrrolidin-3-yl]carbamoyl]benzoic acid Traditional Name: 3-tert-butyl-5-[[1-[4-isopropyl-1-(methylamino)-2-propyl-cyclohexyl]-2-keto-pyrrolidin-3-yl]carbamoyl]benzoic acid Formula: C29H45N3O4 MolecularWeight: 499.6853

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC(CCC1(NC)N2CCC(C2=O)NC(=O)C3=CC(=CC(=C3)C(C)(C)C)C(=O)O)C(C)C

Isomeric SMILES

CCCC1CC(CCC1(NC)N2CCC(C2=O)NC(=O)C3=CC(=CC(=C3)C(C)(C)C)C(=O)O)C(C)C

InChI

InChI=1S/C29H45N3O4/c1-8-9-22-15-19(18(2)3)10-12-29(22,30-7)32-13-11-24(26(32)34)31-25(33)20-14-21(27(35)36)17-23(16-20)28(4,5)6/h14,16-19,22,24,30H,8-13,15H2,1-7H3,(H,31,33)(H,35,36)