methyl 2-[(4-fluorophenyl)methylcarbamoyl]-5-(4-methoxyphenyl)-4-(4-nitrophenyl)carbonyl-3-thiophen-2-yl-pyrrolidine-1-carboxylate

Systemtic Name: methyl 2-[(4-fluorophenyl)methylcarbamoyl]-5-(4-methoxyphenyl)-4-(4-nitrophenyl)carbonyl-3-thiophen-2-yl-pyrrolidine-1-carboxylate Openeye Name: methyl 2-[(4-fluorophenyl)methylcarbamoyl]-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-3-(2-thienyl)pyrrolidine-1-carboxylate CAS Name: 2-[[(4-fluorophenyl)methylamino]-oxomethyl]-5-(4-methoxyphenyl)-4-[(4-nitrophenyl)-oxomethyl]-3-thiophen-2-yl-1-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-fluorophenyl)methylcarbamoyl]-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-3-thiophen-2-ylpyrrolidine-1-carboxylate Traditional Name: 2-[(4-fluorobenzyl)carbamoyl]-5-(4-methoxyphenyl)-4-(4-nitrobenzoyl)-3-(2-thienyl)pyrrolidine-1-carboxylic acid methyl ester Formula: C32H28FN3O7S MolecularWeight: 617.644023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(C(N2C(=O)OC)C(=O)NCC3=CC=C(C=C3)F)C4=CC=CS4)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(C(N2C(=O)OC)C(=O)NCC3=CC=C(C=C3)F)C4=CC=CS4)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C32H28FN3O7S/c1-42-24-15-9-20(10-16-24)28-27(30(37)21-7-13-23(14-8-21)36(40)41)26(25-4-3-17-44-25)29(35(28)32(39)43-2)31(38)34-18-19-5-11-22(33)12-6-19/h3-17,26-29H,18H2,1-2H3,(H,34,38)