[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C(C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)[C@H](C)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H26N2O4/c1-3-4-8-17-11-13-19(14-12-17)24-20(25)15-28-22(27)16(2)23-21(26)18-9-6-5-7-10-18/h5-7,9-14,16H,3-4,8,15H2,1-2H3,(H,23,26)(H,24,25)/t16-/m0/s1