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

Systemtic Name: 2-[[1-(4-azanylbutylamino)-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid Openeye Name: 2-[[2-(4-aminobutylamino)-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]cyclopropanecarboxylic acid CAS Name: 2-[[[1-(4-aminobutylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-oxomethyl]-1-cyclopropanecarboxylic acid IUPAC Name: 2-[[1-(4-aminobutylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid Traditional Name: 2-[[2-(4-aminobutylamino)-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoyl]cyclopropanecarboxylic acid Formula: C18H25N3O5 MolecularWeight: 363.4082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O5/c19-7-1-2-8-20-17(24)15(9-11-3-5-12(22)6-4-11)21-16(23)13-10-14(13)18(25)26/h3-6,13-15,22H,1-2,7-10,19H2,(H,20,24)(H,21,23)(H,25,26)