4-[[4-[(2-methylquinolin-4-yl)methyl]phenyl]carbonylamino]-1-prop-2-ynyl-pyrrolidine-3-carboxylate

Systemtic Name: 4-[[4-[(2-methylquinolin-4-yl)methyl]phenyl]carbonylamino]-1-prop-2-ynyl-pyrrolidine-3-carboxylate Openeye Name: 4-[[4-[(2-methyl-4-quinolyl)methyl]benzoyl]amino]-1-prop-2-ynyl-pyrrolidine-3-carboxylate CAS Name: 4-[[[4-[(2-methyl-4-quinolinyl)methyl]phenyl]-oxomethyl]amino]-1-prop-2-ynyl-3-pyrrolidinecarboxylate IUPAC Name: 4-[[4-[(2-methylquinolin-4-yl)methyl]benzoyl]amino]-1-prop-2-ynylpyrrolidine-3-carboxylate Traditional Name: 4-[[4-[(2-methyl-4-quinolyl)methyl]benzoyl]amino]-1-propargyl-pyrrolidine-3-carboxylate Formula: C26H24N3O3- MolecularWeight: 426.48706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)CC3=CC=C(C=C3)C(=O)NC4CN(CC4C(=O)[O-])CC#C

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)CC3=CC=C(C=C3)C(=O)NC4CN(CC4C(=O)[O-])CC#C

InChI

InChI=1S/C26H25N3O3/c1-3-12-29-15-22(26(31)32)24(16-29)28-25(30)19-10-8-18(9-11-19)14-20-13-17(2)27-23-7-5-4-6-21(20)23/h1,4-11,13,22,24H,12,14-16H2,2H3,(H,28,30)(H,31,32)/p-1