3-[[8-(2-azanylethylamino)-4-oxidanylidene-quinolizin-3-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[8-(2-azanylethylamino)-4-oxidanylidene-quinolizin-3-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[8-(2-aminoethylamino)-4-oxo-quinolizine-3-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[[8-(2-aminoethylamino)-4-oxo-3-quinolizinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[8-(2-aminoethylamino)-4-oxoquinolizine-3-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[8-(2-aminoethylamino)-4-keto-quinolizine-3-carbonyl]amino]-3-phenyl-propionic acid Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC=C3C=C(C=CN3C2=O)NCCN

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC=C3C=C(C=CN3C2=O)NCCN

InChI

InChI=1S/C21H22N4O4/c22-9-10-23-15-8-11-25-16(12-15)6-7-17(21(25)29)20(28)24-18(13-19(26)27)14-4-2-1-3-5-14/h1-8,11-12,18,23H,9-10,13,22H2,(H,24,28)(H,26,27)