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

Systemtic Name: methyl 2-[[(2S)-2-benzamido-3-phenyl-propanoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[(2S)-2-benzamido-3-phenyl-propanoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(2S)-2-benzamido-1-oxo-3-phenylpropoxy]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(2S)-2-benzamido-3-phenylpropanoyl]oxymethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(2S)-2-benzamido-3-phenyl-propanoyl]oxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C29H26N2O5 MolecularWeight: 482.52714

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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)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C29H26N2O5/c1-19-22-15-9-10-16-23(22)30-25(26(19)29(34)35-2)18-36-28(33)24(17-20-11-5-3-6-12-20)31-27(32)21-13-7-4-8-14-21/h3-16,24H,17-18H2,1-2H3,(H,31,32)/t24-/m0/s1