4-[(4-azanyl-3-methyl-phenyl)-ethyl-amino]butan-1-ol; (5-phosphononaphthalen-1-yl)phosphonic acid

Systemtic Name: 4-[(4-azanyl-3-methyl-phenyl)-ethyl-amino]butan-1-ol; (5-phosphononaphthalen-1-yl)phosphonic acid Openeye Name: 4-(4-amino-N-ethyl-3-methyl-anilino)butan-1-ol; (5-phosphono-1-naphthyl)phosphonic acid CAS Name: 4-(4-amino-N-ethyl-3-methylanilino)-1-butanol; (5-phosphono-1-naphthalenyl)phosphonic acid IUPAC Name: 4-(4-amino-N-ethyl-3-methylanilino)butan-1-ol; (5-phosphononaphthalen-1-yl)phosphonic acid Traditional Name: 4-(4-amino-N-ethyl-3-methyl-anilino)butan-1-ol; (5-phosphono-1-naphthyl)phosphonic acid Formula: C23H32N2O7P2 MolecularWeight: 510.456902

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCO)C1=CC(=C(C=C1)N)C.C1=CC2=C(C=CC=C2P(=O)(O)O)C(=C1)P(=O)(O)O

Isomeric SMILES

CCN(CCCCO)C1=CC(=C(C=C1)N)C.C1=CC2=C(C=CC=C2P(=O)(O)O)C(=C1)P(=O)(O)O

InChI

InChI=1S/C13H22N2O.C10H10O6P2/c1-3-15(8-4-5-9-16)12-6-7-13(14)11(2)10-12;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h6-7,10,16H,3-5,8-9,14H2,1-2H3;1-6H,(H2,11,12,13)(H2,14,15,16)