(phenylmethyl) 2-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-(4-fluorophenyl)carbonyl-imidazolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-(4-fluorophenyl)carbonyl-imidazolidine-1-carboxylate Openeye Name: benzyl 2-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-(4-fluorobenzoyl)imidazolidine-1-carboxylate CAS Name: 2-[[[3-(aminomethyl)phenyl]methylamino]-oxomethyl]-3-[(4-fluorophenyl)-oxomethyl]-1-imidazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-(4-fluorobenzoyl)imidazolidine-1-carboxylate Traditional Name: 2-[[3-(aminomethyl)benzyl]carbamoyl]-3-(4-fluorobenzoyl)imidazolidine-1-carboxylic acid benzyl ester Formula: C27H27FN4O4 MolecularWeight: 490.526083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N1C(=O)C2=CC=C(C=C2)F)C(=O)NCC3=CC=CC(=C3)CN)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(C(N1C(=O)C2=CC=C(C=C2)F)C(=O)NCC3=CC=CC(=C3)CN)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H27FN4O4/c28-23-11-9-22(10-12-23)26(34)31-13-14-32(27(35)36-18-19-5-2-1-3-6-19)25(31)24(33)30-17-21-8-4-7-20(15-21)16-29/h1-12,15,25H,13-14,16-18,29H2,(H,30,33)