2-methylpropyl 2-[4-(3-methylphenyl)piperazin-1-yl]carbonyl-4-[(4-phenylmethoxyquinolin-2-yl)carbonylamino]butanoate

Systemtic Name: 2-methylpropyl 2-[4-(3-methylphenyl)piperazin-1-yl]carbonyl-4-[(4-phenylmethoxyquinolin-2-yl)carbonylamino]butanoate Openeye Name: isobutyl 4-[(4-benzyloxyquinoline-2-carbonyl)amino]-2-[4-(m-tolyl)piperazine-1-carbonyl]butanoate CAS Name: 2-[[4-(3-methylphenyl)-1-piperazinyl]-oxomethyl]-4-[[oxo-(4-phenylmethoxy-2-quinolinyl)methyl]amino]butanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[4-(3-methylphenyl)piperazine-1-carbonyl]-4-[(4-phenylmethoxyquinoline-2-carbonyl)amino]butanoate Traditional Name: 4-[(4-benzoxyquinoline-2-carbonyl)amino]-2-[4-(m-tolyl)piperazine-1-carbonyl]butyric acid isobutyl ester Formula: C37H42N4O5 MolecularWeight: 622.75318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C(CCNC(=O)C3=NC4=CC=CC=C4C(=C3)OCC5=CC=CC=C5)C(=O)OCC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C(CCNC(=O)C3=NC4=CC=CC=C4C(=C3)OCC5=CC=CC=C5)C(=O)OCC(C)C

InChI

InChI=1S/C37H42N4O5/c1-26(2)24-46-37(44)31(36(43)41-20-18-40(19-21-41)29-13-9-10-27(3)22-29)16-17-38-35(42)33-23-34(30-14-7-8-15-32(30)39-33)45-25-28-11-5-4-6-12-28/h4-15,22-23,26,31H,16-21,24-25H2,1-3H3,(H,38,42)