ethyl 3-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[2-(3-methoxyphenyl)-2-pyrrolidino-ethyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C23H27N3O6 MolecularWeight: 441.47698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC(C2=CC(=CC=C2)OC)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC(C2=CC(=CC=C2)OC)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O6/c1-3-32-23(28)18-11-17(12-19(13-18)26(29)30)22(27)24-15-21(25-9-4-5-10-25)16-7-6-8-20(14-16)31-2/h6-8,11-14,21H,3-5,9-10,15H2,1-2H3,(H,24,27)