[2-(diethylamino)-2-oxidanylidene-ethyl] 4-[4-cyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoate

Systemtic Name: [2-(diethylamino)-2-oxidanylidene-ethyl] 4-[4-cyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoate Openeye Name: [2-(diethylamino)-2-oxo-ethyl] 4-[4-cyano-2-[2-(1-naphthyl)propanoylamino]phenyl]butanoate CAS Name: 4-[4-cyano-2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]phenyl]butanoic acid [2-(diethylamino)-2-oxoethyl] ester IUPAC Name: [2-(diethylamino)-2-oxoethyl] 4-[4-cyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoate Traditional Name: 4-[4-cyano-2-[2-(1-naphthyl)propanoylamino]phenyl]butyric acid [2-(diethylamino)-2-keto-ethyl] ester Formula: C30H33N3O4 MolecularWeight: 499.60072

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC(=O)CCCC1=C(C=C(C=C1)C#N)NC(=O)C(C)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCN(CC)C(=O)COC(=O)CCCC1=C(C=C(C=C1)C#N)NC(=O)C(C)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C30H33N3O4/c1-4-33(5-2)28(34)20-37-29(35)15-9-12-24-17-16-22(19-31)18-27(24)32-30(36)21(3)25-14-8-11-23-10-6-7-13-26(23)25/h6-8,10-11,13-14,16-18,21H,4-5,9,12,15,20H2,1-3H3,(H,32,36)