2-[[7-(3-azanylpropoxy)-4-oxidanylidene-quinolizin-3-yl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[[7-(3-azanylpropoxy)-4-oxidanylidene-quinolizin-3-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 2-[[7-(3-aminopropoxy)-4-oxo-quinolizine-3-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 2-[[[7-(3-aminopropoxy)-4-oxo-3-quinolizinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[7-(3-aminopropoxy)-4-oxoquinolizine-3-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 2-[[7-(3-aminopropoxy)-4-keto-quinolizine-3-carbonyl]amino]cyclohexanecarboxylic acid Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)O)NC(=O)C2=CC=C3C=CC(=CN3C2=O)OCCCN

Isomeric SMILES

C1CCC(C(C1)C(=O)O)NC(=O)C2=CC=C3C=CC(=CN3C2=O)OCCCN

InChI

InChI=1S/C20H25N3O5/c21-10-3-11-28-14-8-6-13-7-9-16(19(25)23(13)12-14)18(24)22-17-5-2-1-4-15(17)20(26)27/h6-9,12,15,17H,1-5,10-11,21H2,(H,22,24)(H,26,27)