ethyl 6-(morpholin-4-ylmethyl)-4-oxidanylidene-8-[[(phenylmethyl)amino]methyl]-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 6-(morpholin-4-ylmethyl)-4-oxidanylidene-8-[[(phenylmethyl)amino]methyl]-1H-quinoline-3-carboxylate Openeye Name: ethyl 8-[(benzylamino)methyl]-6-(morpholinomethyl)-4-oxo-1H-quinoline-3-carboxylate CAS Name: 6-(4-morpholinylmethyl)-4-oxo-8-[[(phenylmethyl)amino]methyl]-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 8-[(benzylamino)methyl]-6-(morpholin-4-ylmethyl)-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 8-[(benzylamino)methyl]-4-keto-6-(morpholinomethyl)-1H-quinoline-3-carboxylic acid ethyl ester Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC2=C(C=C(C=C2C1=O)CN3CCOCC3)CNCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CNC2=C(C=C(C=C2C1=O)CN3CCOCC3)CNCC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O4/c1-2-32-25(30)22-16-27-23-20(15-26-14-18-6-4-3-5-7-18)12-19(13-21(23)24(22)29)17-28-8-10-31-11-9-28/h3-7,12-13,16,26H,2,8-11,14-15,17H2,1H3,(H,27,29)