1-[2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-(quinolin-4-yloxymethyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-(quinolin-4-yloxymethyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-(4-quinolyloxymethyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[2-(methoxycarbonylamino)-3,3-dimethyl-1-oxobutyl]-4-(4-quinolinyloxymethyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]-4-(quinolin-4-yloxymethyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(carbomethoxyamino)-3,3-dimethyl-butanoyl]-4-(4-quinolyloxymethyl)proline Formula: C23H29N3O6 MolecularWeight: 443.49286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CC(CC1C(=O)O)COC2=CC=NC3=CC=CC=C32)NC(=O)OC

Isomeric SMILES

CC(C)(C)C(C(=O)N1CC(CC1C(=O)O)COC2=CC=NC3=CC=CC=C32)NC(=O)OC

InChI

InChI=1S/C23H29N3O6/c1-23(2,3)19(25-22(30)31-4)20(27)26-12-14(11-17(26)21(28)29)13-32-18-9-10-24-16-8-6-5-7-15(16)18/h5-10,14,17,19H,11-13H2,1-4H3,(H,25,30)(H,28,29)