tert-butyl 2-[ethanoyl(isoquinolin-4-yl)amino]-2-[(3-methylphenyl)carbamoylamino]ethanoate

Systemtic Name: tert-butyl 2-[ethanoyl(isoquinolin-4-yl)amino]-2-[(3-methylphenyl)carbamoylamino]ethanoate Openeye Name: tert-butyl 2-[acetyl(4-isoquinolyl)amino]-2-(m-tolylcarbamoylamino)acetate CAS Name: 2-[acetyl(4-isoquinolinyl)amino]-2-[[(3-methylanilino)-oxomethyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[acetyl(isoquinolin-4-yl)amino]-2-[(3-methylphenyl)carbamoylamino]acetate Traditional Name: 2-[acetyl(4-isoquinolyl)amino]-2-(m-tolylcarbamoylamino)acetic acid tert-butyl ester Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC(C(=O)OC(C)(C)C)N(C2=CN=CC3=CC=CC=C32)C(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC(C(=O)OC(C)(C)C)N(C2=CN=CC3=CC=CC=C32)C(=O)C

InChI

InChI=1S/C25H28N4O4/c1-16-9-8-11-19(13-16)27-24(32)28-22(23(31)33-25(3,4)5)29(17(2)30)21-15-26-14-18-10-6-7-12-20(18)21/h6-15,22H,1-5H3,(H2,27,28,32)