2-[3-(1-azanylcyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 2-[3-(1-azanylcyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 2-[3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 2-[3-(1-aminocyclopropyl)-1-pyrrolidinyl]-1-cyclopropyl-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 2-[3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 2-[3-(1-aminocyclopropyl)pyrrolidino]-1-cyclopropyl-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=C(C2=O)C(=O)O)N3CCC(C3)C4(CC4)N)C5CC5

Isomeric SMILES

CC1=CC=CC2=C1N(C(=C(C2=O)C(=O)O)N3CCC(C3)C4(CC4)N)C5CC5

InChI

InChI=1S/C21H25N3O3/c1-12-3-2-4-15-17(12)24(14-5-6-14)19(16(18(15)25)20(26)27)23-10-7-13(11-23)21(22)8-9-21/h2-4,13-14H,5-11,22H2,1H3,(H,26,27)