[1-(2-azanyl-2-oxidanylidene-ethyl)-4-butoxy-azulen-6-yl]methylphosphonic acid

Systemtic Name: [1-(2-azanyl-2-oxidanylidene-ethyl)-4-butoxy-azulen-6-yl]methylphosphonic acid Openeye Name: [1-(2-amino-2-oxo-ethyl)-4-butoxy-azulen-6-yl]methylphosphonic acid CAS Name: [1-(2-amino-2-oxoethyl)-4-butoxy-6-azulenyl]methylphosphonic acid IUPAC Name: [1-(2-amino-2-oxoethyl)-4-butoxyazulen-6-yl]methylphosphonic acid Traditional Name: [1-(2-amino-2-keto-ethyl)-4-butoxy-azulen-6-yl]methylphosphonic acid Formula: C17H22NO5P MolecularWeight: 351.334041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C2C=CC(=C2C=CC(=C1)CP(=O)(O)O)CC(=O)N

Isomeric SMILES

CCCCOC1=C2C=CC(=C2C=CC(=C1)CP(=O)(O)O)CC(=O)N

InChI

InChI=1S/C17H22NO5P/c1-2-3-8-23-16-9-12(11-24(20,21)22)4-6-14-13(10-17(18)19)5-7-15(14)16/h4-7,9H,2-3,8,10-11H2,1H3,(H2,18,19)(H2,20,21,22)