tert-butyl N-[4-[2-[(3-ethynylphenyl)amino]-2-oxidanylidene-ethyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[2-[(3-ethynylphenyl)amino]-2-oxidanylidene-ethyl]phenyl]carbamate Openeye Name: tert-butyl N-[4-[2-(3-ethynylanilino)-2-oxo-ethyl]phenyl]carbamate CAS Name: N-[4-[2-(3-ethynylanilino)-2-oxoethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[2-(3-ethynylanilino)-2-oxoethyl]phenyl]carbamate Traditional Name: N-[4-[2-(3-ethynylanilino)-2-keto-ethyl]phenyl]carbamic acid tert-butyl ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)CC(=O)NC2=CC=CC(=C2)C#C

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)CC(=O)NC2=CC=CC(=C2)C#C

InChI

InChI=1S/C21H22N2O3/c1-5-15-7-6-8-18(13-15)22-19(24)14-16-9-11-17(12-10-16)23-20(25)26-21(2,3)4/h1,6-13H,14H2,2-4H3,(H,22,24)(H,23,25)