2-(3-methyl-4-propan-2-yl-phenoxy)ethyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: 2-(3-methyl-4-propan-2-yl-phenoxy)ethyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: 2-(4-isopropyl-3-methyl-phenoxy)ethyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid 2-(3-methyl-4-propan-2-ylphenoxy)ethyl ester IUPAC Name: 2-(3-methyl-4-propan-2-ylphenoxy)ethyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid 2-(4-isopropyl-3-methyl-phenoxy)ethyl ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCOC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCCOC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C(C)C

InChI

InChI=1S/C22H24N2O4/c1-15(2)20-9-8-19(14-16(20)3)27-12-13-28-22(26)17-4-6-18(7-5-17)24-21(25)10-11-23/h4-9,14-15H,10,12-13H2,1-3H3,(H,24,25)