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

Systemtic Name: 2-[4-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)phenyl]-1-cyclopropyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 2-[4-(2-amino-3-hydroxy-3-oxo-propyl)phenyl]-1-cyclopropyl-9-methyl-4-oxo-quinolizine-3-carboxylic acid CAS Name: 2-[4-(2-amino-3-hydroxy-3-oxopropyl)phenyl]-1-cyclopropyl-9-methyl-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 2-[4-(2-amino-3-hydroxy-3-oxopropyl)phenyl]-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid Traditional Name: 2-[4-(2-amino-3-hydroxy-3-keto-propyl)phenyl]-1-cyclopropyl-4-keto-9-methyl-quinolizine-3-carboxylic acid Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O5/c1-12-3-2-10-25-20(12)18(15-8-9-15)17(19(21(25)26)23(29)30)14-6-4-13(5-7-14)11-16(24)22(27)28/h2-7,10,15-16H,8-9,11,24H2,1H3,(H,27,28)(H,29,30)