ethyl (2S)-2-[(2-azanylquinolin-3-yl)methylamino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[(2-azanylquinolin-3-yl)methylamino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[(2-amino-3-quinolyl)methylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[(2-amino-3-quinolinyl)methylamino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(2-aminoquinolin-3-yl)methylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[(2-amino-3-quinolyl)methylamino]-3-phenyl-propionic acid ethyl ester Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NCC2=CC3=CC=CC=C3N=C2N

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)NCC2=CC3=CC=CC=C3N=C2N

InChI

InChI=1S/C21H23N3O2/c1-2-26-21(25)19(12-15-8-4-3-5-9-15)23-14-17-13-16-10-6-7-11-18(16)24-20(17)22/h3-11,13,19,23H,2,12,14H2,1H3,(H2,22,24)/t19-/m0/s1