[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl] 5-oxidanylidene-5-phenylazanyl-pentanoate

Systemtic Name: [2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl] 5-oxidanylidene-5-phenylazanyl-pentanoate Openeye Name: [2-(4-acetamidoanilino)-2-oxo-ethyl] 5-anilino-5-oxo-pentanoate CAS Name: 5-anilino-5-oxopentanoic acid [2-(4-acetamidoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidoanilino)-2-oxoethyl] 5-anilino-5-oxopentanoate Traditional Name: 5-anilino-5-keto-valeric acid [2-(4-acetamidoanilino)-2-keto-ethyl] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)CCCC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)CCCC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C21H23N3O5/c1-15(25)22-17-10-12-18(13-11-17)24-20(27)14-29-21(28)9-5-8-19(26)23-16-6-3-2-4-7-16/h2-4,6-7,10-13H,5,8-9,14H2,1H3,(H,22,25)(H,23,26)(H,24,27)