[1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: [1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate Openeye Name: [2-(4-tert-butylanilino)-1-methyl-2-oxo-ethyl] 2-(2-acetyl-1H-isoquinolin-1-yl)acetate CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid [1-(4-tert-butylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-tert-butylanilino)-1-oxopropan-2-yl] 2-(2-acetyl-1H-isoquinolin-1-yl)acetate Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid [2-(4-tert-butylanilino)-2-keto-1-methyl-ethyl] ester Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)OC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)OC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

InChI

InChI=1S/C26H30N2O4/c1-17(25(31)27-21-12-10-20(11-13-21)26(3,4)5)32-24(30)16-23-22-9-7-6-8-19(22)14-15-28(23)18(2)29/h6-15,17,23H,16H2,1-5H3,(H,27,31)