3-[methyl(pyridin-2-yl)amino]-2-phenyl-2-pyrrol-1-yl-hex-4-ynoic acid

Systemtic Name: 3-[methyl(pyridin-2-yl)amino]-2-phenyl-2-pyrrol-1-yl-hex-4-ynoic acid Openeye Name: 3-[methyl(2-pyridyl)amino]-2-phenyl-2-pyrrol-1-yl-hex-4-ynoic acid CAS Name: 3-[methyl(2-pyridinyl)amino]-2-phenyl-2-(1-pyrrolyl)-4-hexynoic acid IUPAC Name: 3-[methyl(pyridin-2-yl)amino]-2-phenyl-2-pyrrol-1-ylhex-4-ynoic acid Traditional Name: 3-[methyl(2-pyridyl)amino]-2-phenyl-2-pyrrol-1-yl-hex-4-ynoic acid Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(C(C1=CC=CC=C1)(C(=O)O)N2C=CC=C2)N(C)C3=CC=CC=N3

Isomeric SMILES

CC#CC(C(C1=CC=CC=C1)(C(=O)O)N2C=CC=C2)N(C)C3=CC=CC=N3

InChI

InChI=1S/C22H21N3O2/c1-3-11-19(24(2)20-14-7-8-15-23-20)22(21(26)27,25-16-9-10-17-25)18-12-5-4-6-13-18/h4-10,12-17,19H,1-2H3,(H,26,27)