3-[4-[(2-methylphenyl)-phosphono-amino]butyl]-6-propan-2-yl-azulene-1-carboxylic acid

Systemtic Name: 3-[4-[(2-methylphenyl)-phosphono-amino]butyl]-6-propan-2-yl-azulene-1-carboxylic acid Openeye Name: 6-isopropyl-3-[4-(2-methyl-N-phosphono-anilino)butyl]azulene-1-carboxylic acid CAS Name: 3-[4-(2-methyl-N-phosphonoanilino)butyl]-6-propan-2-yl-1-azulenecarboxylic acid IUPAC Name: 3-[4-(2-methyl-N-phosphonoanilino)butyl]-6-propan-2-ylazulene-1-carboxylic acid Traditional Name: 6-isopropyl-3-[4-(2-methyl-N-phosphono-anilino)butyl]azulene-1-carboxylic acid Formula: C25H30NO5P MolecularWeight: 455.483161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CCCCC2=CC(=C3C2=CC=C(C=C3)C(C)C)C(=O)O)P(=O)(O)O

Isomeric SMILES

CC1=CC=CC=C1N(CCCCC2=CC(=C3C2=CC=C(C=C3)C(C)C)C(=O)O)P(=O)(O)O

InChI

InChI=1S/C25H30NO5P/c1-17(2)19-11-13-21-20(16-23(25(27)28)22(21)14-12-19)9-6-7-15-26(32(29,30)31)24-10-5-4-8-18(24)3/h4-5,8,10-14,16-17H,6-7,9,15H2,1-3H3,(H,27,28)(H2,29,30,31)