[3-[2-(tert-butylamino)-1-[hex-2-ynoyl(prop-2-enyl)amino]-2-oxidanylidene-ethyl]phenyl] hex-2-ynoate

Systemtic Name: [3-[2-(tert-butylamino)-1-[hex-2-ynoyl(prop-2-enyl)amino]-2-oxidanylidene-ethyl]phenyl] hex-2-ynoate Openeye Name: [3-[1-[allyl(hex-2-ynoyl)amino]-2-(tert-butylamino)-2-oxo-ethyl]phenyl] hex-2-ynoate CAS Name: 2-hexynoic acid [3-[2-(tert-butylamino)-2-oxo-1-[1-oxohex-2-ynyl(prop-2-enyl)amino]ethyl]phenyl] ester IUPAC Name: [3-[2-(tert-butylamino)-1-[hex-2-ynoyl(prop-2-enyl)amino]-2-oxoethyl]phenyl] hex-2-ynoate Traditional Name: hex-2-ynoic acid [3-[1-[allyl(hex-2-ynoyl)amino]-2-(tert-butylamino)-2-keto-ethyl]phenyl] ester Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC(=O)N(CC=C)C(C1=CC(=CC=C1)OC(=O)C#CCCC)C(=O)NC(C)(C)C

Isomeric SMILES

CCCC#CC(=O)N(CC=C)C(C1=CC(=CC=C1)OC(=O)C#CCCC)C(=O)NC(C)(C)C

InChI

InChI=1S/C27H34N2O4/c1-7-10-12-17-23(30)29(19-9-3)25(26(32)28-27(4,5)6)21-15-14-16-22(20-21)33-24(31)18-13-11-8-2/h9,14-16,20,25H,3,7-8,10-11,19H2,1-2,4-6H3,(H,28,32)