[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 3-phenylpropanoate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 3-phenylpropanoate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C21H25NO3/c1-2-3-7-18-10-13-19(14-11-18)22-20(23)16-25-21(24)15-12-17-8-5-4-6-9-17/h4-6,8-11,13-14H,2-3,7,12,15-16H2,1H3,(H,22,23)