4-[4-[[1-acetamido-2-oxidanylidene-2-(2-pyrrolidin-1-ylethylamino)ethyl]amino]phenoxy]butanoic acid

Systemtic Name: 4-[4-[[1-acetamido-2-oxidanylidene-2-(2-pyrrolidin-1-ylethylamino)ethyl]amino]phenoxy]butanoic acid Openeye Name: 4-[4-[[1-acetamido-2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]amino]phenoxy]butanoic acid CAS Name: 4-[4-[[1-acetamido-2-oxo-2-[2-(1-pyrrolidinyl)ethylamino]ethyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[4-[[1-acetamido-2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]amino]phenoxy]butanoic acid Traditional Name: 4-[4-[[1-acetamido-2-keto-2-(2-pyrrolidinoethylamino)ethyl]amino]phenoxy]butyric acid Formula: C20H30N4O5 MolecularWeight: 406.476

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C(=O)NCCN1CCCC1)NC2=CC=C(C=C2)OCCCC(=O)O

Isomeric SMILES

CC(=O)NC(C(=O)NCCN1CCCC1)NC2=CC=C(C=C2)OCCCC(=O)O

InChI

InChI=1S/C20H30N4O5/c1-15(25)22-19(20(28)21-10-13-24-11-2-3-12-24)23-16-6-8-17(9-7-16)29-14-4-5-18(26)27/h6-9,19,23H,2-5,10-14H2,1H3,(H,21,28)(H,22,25)(H,26,27)