8-[4-(2-azanylethyl)phenyl]-1-cyclopropyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 8-[4-(2-azanylethyl)phenyl]-1-cyclopropyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 8-[4-(2-aminoethyl)phenyl]-1-cyclopropyl-9-methyl-4-oxo-quinolizine-3-carboxylic acid CAS Name: 8-[4-(2-aminoethyl)phenyl]-1-cyclopropyl-9-methyl-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 8-[4-(2-aminoethyl)phenyl]-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid Traditional Name: 8-[4-(2-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=C(C=CN2C1=C(C=C(C2=O)C(=O)O)C3CC3)C4=CC=C(C=C4)CCN

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O3/c1-13-17(15-4-2-14(3-5-15)8-10-23)9-11-24-20(13)18(16-6-7-16)12-19(21(24)25)22(26)27/h2-5,9,11-12,16H,6-8,10,23H2,1H3,(H,26,27)