methyl 2-[[(2S)-2-(aminocarbonylamino)-3-phenyl-propanoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[[(2S)-2-(aminocarbonylamino)-3-phenyl-propanoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[[(2S)-3-phenyl-2-ureido-propanoyl]oxymethyl]quinoline-3-carboxylate CAS Name: 2-[[(2S)-2-(carbamoylamino)-1-oxo-3-phenylpropoxy]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(2S)-2-(carbamoylamino)-3-phenylpropanoyl]oxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 4-methyl-2-[[(2S)-3-phenyl-2-ureido-propanoyl]oxymethyl]quinoline-3-carboxylic acid methyl ester Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C(CC3=CC=CC=C3)NC(=O)N)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)[C@H](CC3=CC=CC=C3)NC(=O)N)C(=O)OC

InChI

InChI=1S/C23H23N3O5/c1-14-16-10-6-7-11-17(16)25-19(20(14)22(28)30-2)13-31-21(27)18(26-23(24)29)12-15-8-4-3-5-9-15/h3-11,18H,12-13H2,1-2H3,(H3,24,26,29)/t18-/m0/s1