3-[[1-(3-butoxypropylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylic acid

Systemtic Name: 3-[[1-(3-butoxypropylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]aziridine-2-carboxylic acid Openeye Name: 3-[[1-benzyl-2-(3-butoxypropylamino)-2-oxo-ethyl]carbamoyl]aziridine-2-carboxylic acid CAS Name: 3-[[[1-(3-butoxypropylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-aziridinecarboxylic acid IUPAC Name: 3-[[1-(3-butoxypropylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]aziridine-2-carboxylic acid Traditional Name: 3-[[1-benzyl-2-(3-butoxypropylamino)-2-keto-ethyl]carbamoyl]ethylenimine-2-carboxylic acid Formula: C20H29N3O5 MolecularWeight: 391.46136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCNC(=O)C(CC1=CC=CC=C1)NC(=O)C2C(N2)C(=O)O

Isomeric SMILES

CCCCOCCCNC(=O)C(CC1=CC=CC=C1)NC(=O)C2C(N2)C(=O)O

InChI

InChI=1S/C20H29N3O5/c1-2-3-11-28-12-7-10-21-18(24)15(13-14-8-5-4-6-9-14)22-19(25)16-17(23-16)20(26)27/h4-6,8-9,15-17,23H,2-3,7,10-13H2,1H3,(H,21,24)(H,22,25)(H,26,27)