methyl 4-methyl-2-[[4-[(propan-2-ylcarbamoylamino)methyl]phenyl]carbonyloxymethyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[[4-[(propan-2-ylcarbamoylamino)methyl]phenyl]carbonyloxymethyl]quinoline-3-carboxylate Openeye Name: methyl 2-[[4-[(isopropylcarbamoylamino)methyl]benzoyl]oxymethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 4-methyl-2-[[oxo-[4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]phenyl]methoxy]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]oxymethyl]quinoline-3-carboxylate Traditional Name: 2-[[4-[(isopropylcarbamoylamino)methyl]benzoyl]oxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O5/c1-15(2)27-25(31)26-13-17-9-11-18(12-10-17)23(29)33-14-21-22(24(30)32-4)16(3)19-7-5-6-8-20(19)28-21/h5-12,15H,13-14H2,1-4H3,(H2,26,27,31)