methyl 3-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylate

Systemtic Name: methyl 3-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylate Openeye Name: methyl 3-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-2-phenyl-quinoline-4-carboxylate CAS Name: 3-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]methyl]-2-phenyl-4-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-2-phenylquinoline-4-carboxylate Traditional Name: 3-[(4-isobutyrylpiperazino)methyl]-2-phenyl-cinchoninic acid methyl ester Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C26H29N3O3/c1-18(2)25(30)29-15-13-28(14-16-29)17-21-23(26(31)32-3)20-11-7-8-12-22(20)27-24(21)19-9-5-4-6-10-19/h4-12,18H,13-17H2,1-3H3