ethyl 3-[[1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]carbamoyl]-1-(phenylmethyl)aziridine-2-carboxylate

Systemtic Name: ethyl 3-[[1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]carbamoyl]-1-(phenylmethyl)aziridine-2-carboxylate Openeye Name: ethyl 1-benzyl-3-[[1-benzyl-2-(benzylamino)-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylate CAS Name: 3-[oxo-[[1-oxo-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]amino]methyl]-1-(phenylmethyl)-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-3-[[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylate Traditional Name: 1-benzyl-3-[[1-benzyl-2-(benzylamino)-2-keto-ethyl]carbamoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N1CC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1C(N1CC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C29H31N3O4/c1-2-36-29(35)26-25(32(26)20-23-16-10-5-11-17-23)28(34)31-24(18-21-12-6-3-7-13-21)27(33)30-19-22-14-8-4-9-15-22/h3-17,24-26H,2,18-20H2,1H3,(H,30,33)(H,31,34)