2-(aminomethyl)-1-cyclopropyl-6,8-dimethyl-4-oxidanylidene-5-pyridin-4-yl-quinoline-3-carboxylic acid

Systemtic Name: 2-(aminomethyl)-1-cyclopropyl-6,8-dimethyl-4-oxidanylidene-5-pyridin-4-yl-quinoline-3-carboxylic acid Openeye Name: 2-(aminomethyl)-1-cyclopropyl-6,8-dimethyl-4-oxo-5-(4-pyridyl)quinoline-3-carboxylic acid CAS Name: 2-(aminomethyl)-1-cyclopropyl-6,8-dimethyl-4-oxo-5-pyridin-4-yl-3-quinolinecarboxylic acid IUPAC Name: 2-(aminomethyl)-1-cyclopropyl-6,8-dimethyl-4-oxo-5-pyridin-4-ylquinoline-3-carboxylic acid Traditional Name: 2-(aminomethyl)-1-cyclopropyl-4-keto-6,8-dimethyl-5-(4-pyridyl)quinoline-3-carboxylic acid Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1C3=CC=NC=C3)C(=O)C(=C(N2C4CC4)CN)C(=O)O)C

Isomeric SMILES

CC1=CC(=C2C(=C1C3=CC=NC=C3)C(=O)C(=C(N2C4CC4)CN)C(=O)O)C

InChI

InChI=1S/C21H21N3O3/c1-11-9-12(2)19-18(16(11)13-5-7-23-8-6-13)20(25)17(21(26)27)15(10-22)24(19)14-3-4-14/h5-9,14H,3-4,10,22H2,1-2H3,(H,26,27)