methyl 3-[[2-(4-dimethylaminophenyl)-2-(1H-indol-3-yl)ethyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[2-(4-dimethylaminophenyl)-2-(1H-indol-3-yl)ethyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[2-(4-dimethylaminophenyl)-2-(1H-indol-3-yl)ethyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(4-dimethylaminophenyl)-2-(1H-indol-3-yl)ethyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-dimethylaminophenyl)-2-(1H-indol-3-yl)ethyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(4-dimethylaminophenyl)-2-(1H-indol-3-yl)ethyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C27H26N4O5 MolecularWeight: 486.51914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)C3=CNC4=CC=CC=C43

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C27H26N4O5/c1-30(2)20-10-8-17(9-11-20)23(24-16-28-25-7-5-4-6-22(24)25)15-29-26(32)18-12-19(27(33)36-3)14-21(13-18)31(34)35/h4-14,16,23,28H,15H2,1-3H3,(H,29,32)