methyl 2-[[4-(dimethylcarbamoyl)-6-thiophen-2-yl-quinolin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: methyl 2-[[4-(dimethylcarbamoyl)-6-thiophen-2-yl-quinolin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoate Openeye Name: methyl 2-[[4-(dimethylcarbamoyl)-6-(2-thienyl)quinoline-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: 2-[[[4-[dimethylamino(oxo)methyl]-6-thiophen-2-yl-2-quinolinyl]-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[[4-(dimethylcarbamoyl)-6-thiophen-2-ylquinoline-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-[[4-(dimethylcarbamoyl)-6-(2-thienyl)quinoline-2-carbonyl]amino]-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C27H25N3O5S MolecularWeight: 503.5695

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=NC2=C1C=C(C=C2)C3=CC=CS3)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)OC

Isomeric SMILES

CN(C)C(=O)C1=CC(=NC2=C1C=C(C=C2)C3=CC=CS3)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)OC

InChI

InChI=1S/C27H25N3O5S/c1-30(2)26(33)20-15-22(28-21-11-8-17(14-19(20)21)24-5-4-12-36-24)25(32)29-23(27(34)35-3)13-16-6-9-18(31)10-7-16/h4-12,14-15,23,31H,13H2,1-3H3,(H,29,32)