2-[3-azanyl-2-oxidanylidene-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[3-azanyl-2-oxidanylidene-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]cyclohexane-1-carboxylic acid Openeye Name: 2-[3-amino-2-oxo-3-[4-(4-quinolylmethoxy)phenyl]pyrrolidin-1-yl]cyclohexanecarboxylic acid CAS Name: 2-[3-amino-2-oxo-3-[4-(4-quinolinylmethoxy)phenyl]-1-pyrrolidinyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[3-amino-2-oxo-3-[4-(quinolin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]cyclohexane-1-carboxylic acid Traditional Name: 2-[3-amino-2-keto-3-[4-(4-quinolylmethoxy)phenyl]pyrrolidino]cyclohexanecarboxylic acid Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)O)N2CCC(C2=O)(C3=CC=C(C=C3)OCC4=CC=NC5=CC=CC=C45)N

Isomeric SMILES

C1CCC(C(C1)C(=O)O)N2CCC(C2=O)(C3=CC=C(C=C3)OCC4=CC=NC5=CC=CC=C45)N

InChI

InChI=1S/C27H29N3O4/c28-27(14-16-30(26(27)33)24-8-4-2-6-22(24)25(31)32)19-9-11-20(12-10-19)34-17-18-13-15-29-23-7-3-1-5-21(18)23/h1,3,5,7,9-13,15,22,24H,2,4,6,8,14,16-17,28H2,(H,31,32)