2-[[1-(4-azanylbutylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid

Systemtic Name: 2-[[1-(4-azanylbutylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid Openeye Name: 2-[[2-(4-aminobutylamino)-1-benzyl-2-oxo-ethyl]carbamoyl]cyclopropanecarboxylic acid CAS Name: 2-[[[1-(4-aminobutylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-1-cyclopropanecarboxylic acid IUPAC Name: 2-[[1-(4-aminobutylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid Traditional Name: 2-[[2-(4-aminobutylamino)-1-benzyl-2-keto-ethyl]carbamoyl]cyclopropanecarboxylic acid Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1C(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCCCN

Isomeric SMILES

C1C(C1C(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)NCCCCN

InChI

InChI=1S/C18H25N3O4/c19-8-4-5-9-20-17(23)15(10-12-6-2-1-3-7-12)21-16(22)13-11-14(13)18(24)25/h1-3,6-7,13-15H,4-5,8-11,19H2,(H,20,23)(H,21,22)(H,24,25)