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

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] 4-[4-cyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoate Openeye Name: [2-(dimethylamino)-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-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-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-(dimethylamino)-2-keto-ethyl] ester Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)C#N)CCCC(=O)OCC(=O)N(C)C

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)C#N)CCCC(=O)OCC(=O)N(C)C

InChI

InChI=1S/C28H29N3O4/c1-19(23-12-6-9-21-8-4-5-11-24(21)23)28(34)30-25-16-20(17-29)14-15-22(25)10-7-13-27(33)35-18-26(32)31(2)3/h4-6,8-9,11-12,14-16,19H,7,10,13,18H2,1-3H3,(H,30,34)