methyl 3-[2-[3-[(1-ethanoyl-2,3-dihydroindol-5-yl)carbonylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[(1-ethanoyl-2,3-dihydroindol-5-yl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(1-acetylindoline-5-carbonyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[(1-acetyl-2,3-dihydroindol-5-yl)-oxomethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[(1-acetylindoline-5-carbonyl)amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C27H22N2O4 MolecularWeight: 438.47458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C1C=CC(=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CC(=CC=C4)C(=O)OC

Isomeric SMILES

CC(=O)N1CCC2=C1C=CC(=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CC(=CC=C4)C(=O)OC

InChI

InChI=1S/C27H22N2O4/c1-18(30)29-14-13-21-17-22(11-12-25(21)29)26(31)28-24-8-4-6-20(16-24)10-9-19-5-3-7-23(15-19)27(32)33-2/h3-8,11-12,15-17H,13-14H2,1-2H3,(H,28,31)