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

Systemtic Name: [2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 5-oxidanylidene-5-phenylazanyl-pentanoate Openeye Name: [2-(4-acetylanilino)-2-oxo-ethyl] 5-anilino-5-oxo-pentanoate CAS Name: 5-anilino-5-oxopentanoic acid [2-(4-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylanilino)-2-oxoethyl] 5-anilino-5-oxopentanoate Traditional Name: 5-anilino-5-keto-valeric acid [2-(4-acetylanilino)-2-keto-ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5/c1-15(24)16-10-12-18(13-11-16)23-20(26)14-28-21(27)9-5-8-19(25)22-17-6-3-2-4-7-17/h2-4,6-7,10-13H,5,8-9,14H2,1H3,(H,22,25)(H,23,26)