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

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] 4-[4-isocyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] 4-[4-isocyano-2-[2-(1-naphthyl)propanoylamino]phenyl]butanoate CAS Name: 4-[4-isocyano-2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]phenyl]butanoic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] 4-[4-isocyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoate Traditional Name: 4-[4-isocyano-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)[N+]#[C-])CCCC(=O)OCC(=O)N(C)C

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)[N+]#[C-])CCCC(=O)OCC(=O)N(C)C

InChI

InChI=1S/C28H29N3O4/c1-19(23-13-7-10-20-9-5-6-12-24(20)23)28(34)30-25-17-22(29-2)16-15-21(25)11-8-14-27(33)35-18-26(32)31(3)4/h5-7,9-10,12-13,15-17,19H,8,11,14,18H2,1,3-4H3,(H,30,34)