[2-oxidanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-oxidanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-oxo-2-(tetralin-1-ylamino)ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-keto-2-(tetralin-1-ylamino)ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CC=CC=C2C1)NC(=O)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

C1CC(C2=CC=CC=C2C1)NC(=O)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C22H21N3O4/c23-13-12-20(26)24-17-10-8-16(9-11-17)22(28)29-14-21(27)25-19-7-3-5-15-4-1-2-6-18(15)19/h1-2,4,6,8-11,19H,3,5,7,12,14H2,(H,24,26)(H,25,27)