2-[[4-[[(2-methyl-4-oxidanylidene-3H-quinolin-6-yl)methyl-prop-2-ynyl-amino]methyl]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[[(2-methyl-4-oxidanylidene-3H-quinolin-6-yl)methyl-prop-2-ynyl-amino]methyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[[(2-methyl-4-oxo-3H-quinolin-6-yl)methyl-prop-2-ynyl-amino]methyl]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[(2-methyl-4-oxo-3H-quinolin-6-yl)methyl-prop-2-ynylamino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[[(2-methyl-4-oxo-3H-quinolin-6-yl)methyl-prop-2-ynylamino]methyl]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[[(4-keto-2-methyl-3H-quinolin-6-yl)methyl-propargyl-amino]methyl]benzoyl]amino]glutaric acid Formula: C27H27N3O6 MolecularWeight: 489.51978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)CN(CC#C)CC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)C1

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)CN(CC#C)CC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)C1

InChI

InChI=1S/C27H27N3O6/c1-3-12-30(16-19-6-9-22-21(14-19)24(31)13-17(2)28-22)15-18-4-7-20(8-5-18)26(34)29-23(27(35)36)10-11-25(32)33/h1,4-9,14,23H,10-13,15-16H2,2H3,(H,29,34)(H,32,33)(H,35,36)