[2-[[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-ethyl-amino]-2-oxidanylidene-ethyl] (1S)-cyclohex-3-ene-1-carboxylate

Systemtic Name: [2-[[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-ethyl-amino]-2-oxidanylidene-ethyl] (1S)-cyclohex-3-ene-1-carboxylate Openeye Name: [2-[[2-(4-acetamidoanilino)-2-oxo-ethyl]-ethyl-amino]-2-oxo-ethyl] (1S)-cyclohex-3-ene-1-carboxylate CAS Name: (1S)-1-cyclohex-3-enecarboxylic acid [2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl] (1S)-cyclohex-3-ene-1-carboxylate Traditional Name: (1S)-cyclohex-3-ene-1-carboxylic acid [2-[[2-(4-acetamidoanilino)-2-keto-ethyl]-ethyl-amino]-2-keto-ethyl] ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)COC(=O)C2CCC=CC2

Isomeric SMILES

CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C)C(=O)COC(=O)[C@H]2CCC=CC2

InChI

InChI=1S/C21H27N3O5/c1-3-24(20(27)14-29-21(28)16-7-5-4-6-8-16)13-19(26)23-18-11-9-17(10-12-18)22-15(2)25/h4-5,9-12,16H,3,6-8,13-14H2,1-2H3,(H,22,25)(H,23,26)/t16-/m1/s1