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

Systemtic Name: 4-[[4-[(2-ethylquinolin-4-yl)methyl]phenyl]carbonylamino]-1-prop-2-ynyl-pyrrolidine-3-carboxylate Openeye Name: 4-[[4-[(2-ethyl-4-quinolyl)methyl]benzoyl]amino]-1-prop-2-ynyl-pyrrolidine-3-carboxylate CAS Name: 4-[[[4-[(2-ethyl-4-quinolinyl)methyl]phenyl]-oxomethyl]amino]-1-prop-2-ynyl-3-pyrrolidinecarboxylate IUPAC Name: 4-[[4-[(2-ethylquinolin-4-yl)methyl]benzoyl]amino]-1-prop-2-ynylpyrrolidine-3-carboxylate Traditional Name: 4-[[4-[(2-ethyl-4-quinolyl)methyl]benzoyl]amino]-1-propargyl-pyrrolidine-3-carboxylate Formula: C27H26N3O3- MolecularWeight: 440.51364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1)CC3=CC=C(C=C3)C(=O)NC4CN(CC4C(=O)[O-])CC#C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1)CC3=CC=C(C=C3)C(=O)NC4CN(CC4C(=O)[O-])CC#C

InChI

InChI=1S/C27H27N3O3/c1-3-13-30-16-23(27(32)33)25(17-30)29-26(31)19-11-9-18(10-12-19)14-20-15-21(4-2)28-24-8-6-5-7-22(20)24/h1,5-12,15,23,25H,4,13-14,16-17H2,2H3,(H,29,31)(H,32,33)/p-1