8-[3-(aminomethyl)phenyl]-1-cyclopropyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 8-[3-(aminomethyl)phenyl]-1-cyclopropyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 8-[3-(aminomethyl)phenyl]-1-cyclopropyl-9-methyl-4-oxo-quinolizine-3-carboxylic acid CAS Name: 8-[3-(aminomethyl)phenyl]-1-cyclopropyl-9-methyl-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 8-[3-(aminomethyl)phenyl]-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid Traditional Name: 8-[3-(aminomethyl)phenyl]-1-cyclopropyl-4-keto-9-methyl-quinolizine-3-carboxylic acid Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)C4=CC(=CC=C4)CN

Isomeric SMILES

CC1=C(C=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)C4=CC(=CC=C4)CN

InChI

InChI=1S/C21H20N2O3/c1-12-16(15-4-2-3-13(9-15)11-22)7-8-23-19(12)17(14-5-6-14)10-18(20(23)24)21(25)26/h2-4,7-10,14H,5-6,11,22H2,1H3,(H,25,26)