tert-butyl 4-[(4-tert-butylphenyl)methylamino]-3-isoquinolin-5-yl-4-oxidanylidene-butanoate

Systemtic Name: tert-butyl 4-[(4-tert-butylphenyl)methylamino]-3-isoquinolin-5-yl-4-oxidanylidene-butanoate Openeye Name: tert-butyl 4-[(4-tert-butylphenyl)methylamino]-3-(5-isoquinolyl)-4-oxo-butanoate CAS Name: 4-[(4-tert-butylphenyl)methylamino]-3-(5-isoquinolinyl)-4-oxobutanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-tert-butylphenyl)methylamino]-3-isoquinolin-5-yl-4-oxobutanoate Traditional Name: 4-[(4-tert-butylbenzyl)amino]-3-(5-isoquinolyl)-4-keto-butyric acid tert-butyl ester Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC(=O)C(CC(=O)OC(C)(C)C)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=O)C(CC(=O)OC(C)(C)C)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C28H34N2O3/c1-27(2,3)21-12-10-19(11-13-21)17-30-26(32)24(16-25(31)33-28(4,5)6)23-9-7-8-20-18-29-15-14-22(20)23/h7-15,18,24H,16-17H2,1-6H3,(H,30,32)