8-(3-azanyl-4-methyl-phenyl)-1-cyclopropyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 8-(3-azanyl-4-methyl-phenyl)-1-cyclopropyl-9-methyl-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 8-(3-amino-4-methyl-phenyl)-1-cyclopropyl-9-methyl-4-oxo-quinolizine-3-carboxylic acid CAS Name: 8-(3-amino-4-methylphenyl)-1-cyclopropyl-9-methyl-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 8-(3-amino-4-methylphenyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid Traditional Name: 8-(3-amino-4-methyl-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=C(C=C1)C2=C(C3=C(C=C(C(=O)N3C=C2)C(=O)O)C4CC4)C)N

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C3=C(C=C(C(=O)N3C=C2)C(=O)O)C4CC4)C)N

InChI

InChI=1S/C21H20N2O3/c1-11-3-4-14(9-18(11)22)15-7-8-23-19(12(15)2)16(13-5-6-13)10-17(20(23)24)21(25)26/h3-4,7-10,13H,5-6,22H2,1-2H3,(H,25,26)