methyl (2S)-2-[(6-methoxy-2-methyl-quinolin-3-yl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(6-methoxy-2-methyl-quinolin-3-yl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(6-methoxy-2-methyl-quinoline-3-carbonyl)amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(6-methoxy-2-methyl-3-quinolinyl)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(6-methoxy-2-methylquinoline-3-carbonyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[(6-methoxy-2-methyl-quinoline-3-carbonyl)amino]-3-phenyl-propionic acid methyl ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C(C=CC2=N1)OC)C(=O)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C2C=C(C=CC2=N1)OC)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H22N2O4/c1-14-18(13-16-12-17(27-2)9-10-19(16)23-14)21(25)24-20(22(26)28-3)11-15-7-5-4-6-8-15/h4-10,12-13,20H,11H2,1-3H3,(H,24,25)/t20-/m0/s1