4-[[4-(2-diethylaminoethyloxy)-2-oxidanylidene-1-prop-2-enyl-quinolin-3-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[4-(2-diethylaminoethyloxy)-2-oxidanylidene-1-prop-2-enyl-quinolin-3-yl]carbonylamino]benzoic acid Openeye Name: 4-[[1-allyl-4-(2-diethylaminoethyloxy)-2-oxo-quinoline-3-carbonyl]amino]benzoic acid CAS Name: 4-[[[4-(2-diethylaminoethyloxy)-2-oxo-1-prop-2-enyl-3-quinolinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[4-(2-diethylaminoethyloxy)-2-oxo-1-prop-2-enylquinoline-3-carbonyl]amino]benzoic acid Traditional Name: 4-[[1-allyl-4-(2-diethylaminoethyloxy)-2-keto-quinoline-3-carbonyl]amino]benzoic acid Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=C(C(=O)N(C2=CC=CC=C21)CC=C)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCN(CC)CCOC1=C(C(=O)N(C2=CC=CC=C21)CC=C)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C26H29N3O5/c1-4-15-29-21-10-8-7-9-20(21)23(34-17-16-28(5-2)6-3)22(25(29)31)24(30)27-19-13-11-18(12-14-19)26(32)33/h4,7-14H,1,5-6,15-17H2,2-3H3,(H,27,30)(H,32,33)