2-[3-(1-azanylethyl)phenyl]-1-cyclopropyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 2-[3-(1-azanylethyl)phenyl]-1-cyclopropyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 2-[3-(1-aminoethyl)phenyl]-1-cyclopropyl-9-methyl-4-oxo-quinolizine-3-carboxylic acid CAS Name: 2-[3-(1-aminoethyl)phenyl]-1-cyclopropyl-9-methyl-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 2-[3-(1-aminoethyl)phenyl]-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid Traditional Name: 2-[3-(1-aminoethyl)phenyl]-1-cyclopropyl-4-keto-9-methyl-quinolizine-3-carboxylic acid Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=C(C(=C(C2=O)C(=O)O)C3=CC(=CC=C3)C(C)N)C4CC4

Isomeric SMILES

CC1=CC=CN2C1=C(C(=C(C2=O)C(=O)O)C3=CC(=CC=C3)C(C)N)C4CC4

InChI

InChI=1S/C22H22N2O3/c1-12-5-4-10-24-20(12)18(14-8-9-14)17(19(21(24)25)22(26)27)16-7-3-6-15(11-16)13(2)23/h3-7,10-11,13-14H,8-9,23H2,1-2H3,(H,26,27)