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

Systemtic Name: 2-[3-(2-azanylpentanoylamino)pyrrolidin-1-yl]-1-ethyl-4-oxidanylidene-quinolizine-3-carboxylic acid Openeye Name: 2-[3-(2-aminopentanoylamino)pyrrolidin-1-yl]-1-ethyl-4-oxo-quinolizine-3-carboxylic acid CAS Name: 2-[3-[(2-amino-1-oxopentyl)amino]-1-pyrrolidinyl]-1-ethyl-4-oxo-3-quinolizinecarboxylic acid IUPAC Name: 2-[3-(2-aminopentanoylamino)pyrrolidin-1-yl]-1-ethyl-4-oxoquinolizine-3-carboxylic acid Traditional Name: 2-[3-(2-aminopentanoylamino)pyrrolidino]-1-ethyl-4-keto-quinolizine-3-carboxylic acid Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC1CCN(C1)C2=C(C(=O)N3C=CC=CC3=C2CC)C(=O)O)N

Isomeric SMILES

CCCC(C(=O)NC1CCN(C1)C2=C(C(=O)N3C=CC=CC3=C2CC)C(=O)O)N

InChI

InChI=1S/C21H28N4O4/c1-3-7-15(22)19(26)23-13-9-11-24(12-13)18-14(4-2)16-8-5-6-10-25(16)20(27)17(18)21(28)29/h5-6,8,10,13,15H,3-4,7,9,11-12,22H2,1-2H3,(H,23,26)(H,28,29)