ethyl 4-[2-[1-[2-(cyclohexen-1-yl)phenyl]butylamino]-2-oxidanylidene-ethyl]benzoate

Systemtic Name: ethyl 4-[2-[1-[2-(cyclohexen-1-yl)phenyl]butylamino]-2-oxidanylidene-ethyl]benzoate Openeye Name: ethyl 4-[2-[1-[2-(cyclohexen-1-yl)phenyl]butylamino]-2-oxo-ethyl]benzoate CAS Name: 4-[2-[1-[2-(1-cyclohexenyl)phenyl]butylamino]-2-oxoethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-[2-(cyclohexen-1-yl)phenyl]butylamino]-2-oxoethyl]benzoate Traditional Name: 4-[2-[1-[2-(cyclohexen-1-yl)phenyl]butylamino]-2-keto-ethyl]benzoic acid ethyl ester Formula: C27H33NO3 MolecularWeight: 419.55582

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1C2=CCCCC2)NC(=O)CC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCC(C1=CC=CC=C1C2=CCCCC2)NC(=O)CC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C27H33NO3/c1-3-10-25(24-14-9-8-13-23(24)21-11-6-5-7-12-21)28-26(29)19-20-15-17-22(18-16-20)27(30)31-4-2/h8-9,11,13-18,25H,3-7,10,12,19H2,1-2H3,(H,28,29)