8-[3-(2-azanylpropanoylamino)pyrrolidin-1-yl]-1-ethyl-4-oxidanylidene-quinolizine-3-carboxylic acid

Systemtic Name: 8-[3-(2-azanylpropanoylamino)pyrrolidin-1-yl]-1-ethyl-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 8-[3-(2-aminopropanoylamino)pyrrolidin-1-yl]-1-ethyl-4-oxo-quinolizine-3-carboxylic acid CAS Name: 8-[3-[(2-amino-1-oxopropyl)amino]-1-pyrrolidinyl]-1-ethyl-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 8-[3-(2-aminopropanoylamino)pyrrolidin-1-yl]-1-ethyl-4-oxoquinolizine-3-carboxylic acid Traditional Name: 8-[3-(alanylamino)pyrrolidino]-1-ethyl-4-keto-quinolizine-3-carboxylic acid Formula: C19H24N4O4 MolecularWeight: 372.41826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C=C(C=CN2C(=O)C(=C1)C(=O)O)N3CCC(C3)NC(=O)C(C)N

Isomeric SMILES

CCC1=C2C=C(C=CN2C(=O)C(=C1)C(=O)O)N3CCC(C3)NC(=O)C(C)N

InChI

InChI=1S/C19H24N4O4/c1-3-12-8-15(19(26)27)18(25)23-7-5-14(9-16(12)23)22-6-4-13(10-22)21-17(24)11(2)20/h5,7-9,11,13H,3-4,6,10,20H2,1-2H3,(H,21,24)(H,26,27)