ethyl 3-[(2-azanyl-3-phenyl-propanoyl)-(3-butoxypropyl)carbamoyl]aziridine-2-carboxylate

Systemtic Name: ethyl 3-[(2-azanyl-3-phenyl-propanoyl)-(3-butoxypropyl)carbamoyl]aziridine-2-carboxylate Openeye Name: ethyl 3-[(2-amino-3-phenyl-propanoyl)-(3-butoxypropyl)carbamoyl]aziridine-2-carboxylate CAS Name: 3-[[(2-amino-1-oxo-3-phenylpropyl)-(3-butoxypropyl)amino]-oxomethyl]-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-amino-3-phenylpropanoyl)-(3-butoxypropyl)carbamoyl]aziridine-2-carboxylate Traditional Name: 3-[3-butoxypropyl(phenylalanyl)carbamoyl]ethylenimine-2-carboxylic acid ethyl ester Formula: C22H33N3O5 MolecularWeight: 419.51452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCN(C(=O)C1C(N1)C(=O)OCC)C(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CCCCOCCCN(C(=O)C1C(N1)C(=O)OCC)C(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C22H33N3O5/c1-3-5-13-29-14-9-12-25(21(27)18-19(24-18)22(28)30-4-2)20(26)17(23)15-16-10-7-6-8-11-16/h6-8,10-11,17-19,24H,3-5,9,12-15,23H2,1-2H3