(E)-3-(azepan-3-ylamino)prop-2-enoic acid

Systemtic Name: (E)-3-(azepan-3-ylamino)prop-2-enoic acid Openeye Name: (E)-3-(azepan-3-ylamino)prop-2-enoic acid CAS Name: (E)-3-(3-azepanylamino)-2-propenoic acid IUPAC Name: (E)-3-(azepan-3-ylamino)prop-2-enoic acid Traditional Name: (E)-3-(azepan-3-ylamino)acrylic acid Formula: C9H16N2O2 MolecularWeight: 184.23554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNCC(C1)NC=CC(=O)O

Isomeric SMILES

C1CCNCC(C1)N/C=C/C(=O)O

InChI

InChI=1S/C9H16N2O2/c12-9(13)4-6-11-8-3-1-2-5-10-7-8/h4,6,8,10-11H,1-3,5,7H2,(H,12,13)/b6-4+