2-[2-[hydroxymethyl-[2-(prop-2-enoylamino)ethyl]amino]ethylcarbamoyl]benzoic acid

Systemtic Name: 2-[2-[hydroxymethyl-[2-(prop-2-enoylamino)ethyl]amino]ethylcarbamoyl]benzoic acid Openeye Name: 2-[2-[hydroxymethyl-[2-(prop-2-enoylamino)ethyl]amino]ethylcarbamoyl]benzoic acid CAS Name: 2-[[2-[hydroxymethyl-[2-(1-oxoprop-2-enylamino)ethyl]amino]ethylamino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[hydroxymethyl-[2-(prop-2-enoylamino)ethyl]amino]ethylcarbamoyl]benzoic acid Traditional Name: 2-[2-[2-acrylamidoethyl(methylol)amino]ethylcarbamoyl]benzoic acid Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NCCN(CCNC(=O)C1=CC=CC=C1C(=O)O)CO

Isomeric SMILES

C=CC(=O)NCCN(CCNC(=O)C1=CC=CC=C1C(=O)O)CO

InChI

InChI=1S/C16H21N3O5/c1-2-14(21)17-7-9-19(11-20)10-8-18-15(22)12-5-3-4-6-13(12)16(23)24/h2-6,20H,1,7-11H2,(H,17,21)(H,18,22)(H,23,24)