ethyl 4-[1-(4-fluorophenyl)-3-(isoquinolin-3-ylcarbonylamino)-6-methoxy-2-oxidanylidene-indol-3-yl]butanoate

Systemtic Name: ethyl 4-[1-(4-fluorophenyl)-3-(isoquinolin-3-ylcarbonylamino)-6-methoxy-2-oxidanylidene-indol-3-yl]butanoate Openeye Name: ethyl 4-[1-(4-fluorophenyl)-3-(isoquinoline-3-carbonylamino)-6-methoxy-2-oxo-indolin-3-yl]butanoate CAS Name: 4-[1-(4-fluorophenyl)-3-[[3-isoquinolinyl(oxo)methyl]amino]-6-methoxy-2-oxo-3-indolyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[1-(4-fluorophenyl)-3-(isoquinoline-3-carbonylamino)-6-methoxy-2-oxoindol-3-yl]butanoate Traditional Name: 4-[1-(4-fluorophenyl)-3-(isoquinoline-3-carbonylamino)-2-keto-6-methoxy-indolin-3-yl]butyric acid ethyl ester Formula: C31H28FN3O5 MolecularWeight: 541.569523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC1(C2=C(C=C(C=C2)OC)N(C1=O)C3=CC=C(C=C3)F)NC(=O)C4=CC5=CC=CC=C5C=N4

Isomeric SMILES

CCOC(=O)CCCC1(C2=C(C=C(C=C2)OC)N(C1=O)C3=CC=C(C=C3)F)NC(=O)C4=CC5=CC=CC=C5C=N4

InChI

InChI=1S/C31H28FN3O5/c1-3-40-28(36)9-6-16-31(34-29(37)26-17-20-7-4-5-8-21(20)19-33-26)25-15-14-24(39-2)18-27(25)35(30(31)38)23-12-10-22(32)11-13-23/h4-5,7-8,10-15,17-19H,3,6,9,16H2,1-2H3,(H,34,37)