tert-butyl 2-[[2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]pentanoate

Systemtic Name: tert-butyl 2-[[2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]pentanoate Openeye Name: tert-butyl 2-[(2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]pentanoate CAS Name: 2-[[(2-benzoyl-3,4-dihydro-1H-isoquinolin-3-yl)-oxomethyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]pentanoate Traditional Name: 2-[(2-benzoyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]valeric acid tert-butyl ester Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OC(C)(C)C)NC(=O)C1CC2=CC=CC=C2CN1C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC(C(=O)OC(C)(C)C)NC(=O)C1CC2=CC=CC=C2CN1C(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H32N2O4/c1-5-11-21(25(31)32-26(2,3)4)27-23(29)22-16-19-14-9-10-15-20(19)17-28(22)24(30)18-12-7-6-8-13-18/h6-10,12-15,21-22H,5,11,16-17H2,1-4H3,(H,27,29)