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

Systemtic Name: [2-(diethylamino)-2-oxidanylidene-ethyl] 4-[4-isocyano-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoate Openeye Name: [2-(diethylamino)-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-(diethylamino)-2-oxoethyl] ester IUPAC Name: [2-(diethylamino)-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-(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)[N+]#[C-])NC(=O)C(C)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

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

InChI

InChI=1S/C30H33N3O4/c1-5-33(6-2)28(34)20-37-29(35)16-10-13-23-17-18-24(31-4)19-27(23)32-30(36)21(3)25-15-9-12-22-11-7-8-14-26(22)25/h7-9,11-12,14-15,17-19,21H,5-6,10,13,16,20H2,1-3H3,(H,32,36)