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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC(C2=CC=CC=C2OC)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCC(C2=CC=CC=C2OC)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O6/c1-3-32-23(28)17-12-16(13-18(14-17)26(29)30)22(27)24-15-20(25-10-6-7-11-25)19-8-4-5-9-21(19)31-2/h4-5,8-9,12-14,20H,3,6-7,10-11,15H2,1-2H3,(H,24,27)