(phenylmethyl) N-[3-butyl-1-(4-fluorophenyl)-5-methoxy-2-oxidanylidene-3H-indol-1-ium-1-yl]carbamate

Systemtic Name: (phenylmethyl) N-[3-butyl-1-(4-fluorophenyl)-5-methoxy-2-oxidanylidene-3H-indol-1-ium-1-yl]carbamate Openeye Name: benzyl N-[3-butyl-1-(4-fluorophenyl)-5-methoxy-2-oxo-indolin-1-ium-1-yl]carbamate CAS Name: N-[3-butyl-1-(4-fluorophenyl)-5-methoxy-2-oxo-3H-indol-1-ium-1-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-butyl-1-(4-fluorophenyl)-5-methoxy-2-oxo-3H-indol-1-ium-1-yl]carbamate Traditional Name: N-[3-butyl-1-(4-fluorophenyl)-2-keto-5-methoxy-indolin-1-ium-1-yl]carbamic acid benzyl ester Formula: C27H28FN2O4+ MolecularWeight: 463.520623

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=C(C=CC(=C2)OC)[N+](C1=O)(C3=CC=C(C=C3)F)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCCC1C2=C(C=CC(=C2)OC)[N+](C1=O)(C3=CC=C(C=C3)F)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H27FN2O4/c1-3-4-10-23-24-17-22(33-2)15-16-25(24)30(26(23)31,21-13-11-20(28)12-14-21)29-27(32)34-18-19-8-6-5-7-9-19/h5-9,11-17,23H,3-4,10,18H2,1-2H3/p+1