ethyl 4-[[4-[3-(4-cyanophenoxy)prop-1-ynyl]-2,5-dimethyl-phenyl]-propan-2-yl-amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[4-[3-(4-cyanophenoxy)prop-1-ynyl]-2,5-dimethyl-phenyl]-propan-2-yl-amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[4-[3-(4-cyanophenoxy)prop-1-ynyl]-N-isopropyl-2,5-dimethyl-anilino]-4-oxo-butanoate CAS Name: 4-[4-[3-(4-cyanophenoxy)prop-1-ynyl]-2,5-dimethyl-N-propan-2-ylanilino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[3-(4-cyanophenoxy)prop-1-ynyl]-2,5-dimethyl-N-propan-2-ylanilino]-4-oxobutanoate Traditional Name: 4-[4-[3-(4-cyanophenoxy)prop-1-ynyl]-N-isopropyl-2,5-dimethyl-anilino]-4-keto-butyric acid ethyl ester Formula: C27H30N2O4 MolecularWeight: 446.5381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N(C1=C(C=C(C(=C1)C)C#CCOC2=CC=C(C=C2)C#N)C)C(C)C

Isomeric SMILES

CCOC(=O)CCC(=O)N(C1=C(C=C(C(=C1)C)C#CCOC2=CC=C(C=C2)C#N)C)C(C)C

InChI

InChI=1S/C27H30N2O4/c1-6-32-27(31)14-13-26(30)29(19(2)3)25-17-20(4)23(16-21(25)5)8-7-15-33-24-11-9-22(18-28)10-12-24/h9-12,16-17,19H,6,13-15H2,1-5H3