(2S)-2-azanyl-3-[3-(diethylaminomethyl)-2-oxidanylidene-1H-quinolin-6-yl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[3-(diethylaminomethyl)-2-oxidanylidene-1H-quinolin-6-yl]propanoic acid Openeye Name: (2S)-2-amino-3-[3-(diethylaminomethyl)-2-oxo-1H-quinolin-6-yl]propanoic acid CAS Name: (2S)-2-amino-3-[3-(diethylaminomethyl)-2-oxo-1H-quinolin-6-yl]propanoic acid IUPAC Name: (2S)-2-amino-3-[3-(diethylaminomethyl)-2-oxo-1H-quinolin-6-yl]propanoic acid Traditional Name: (2S)-2-amino-3-[3-(diethylaminomethyl)-2-keto-1H-quinolin-6-yl]propionic acid Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC2=C(C=CC(=C2)CC(C(=O)O)N)NC1=O

Isomeric SMILES

CCN(CC)CC1=CC2=C(C=CC(=C2)C[C@@H](C(=O)O)N)NC1=O

InChI

InChI=1S/C17H23N3O3/c1-3-20(4-2)10-13-9-12-7-11(8-14(18)17(22)23)5-6-15(12)19-16(13)21/h5-7,9,14H,3-4,8,10,18H2,1-2H3,(H,19,21)(H,22,23)/t14-/m0/s1