4-[5-(4-azanyl-2-methoxy-phenoxy)pentoxy]-3-methoxy-aniline; methanesulfonic acid

Systemtic Name: 4-[5-(4-azanyl-2-methoxy-phenoxy)pentoxy]-3-methoxy-aniline; methanesulfonic acid Openeye Name: 4-[5-(4-amino-2-methoxy-phenoxy)pentoxy]-3-methoxy-aniline; methanesulfonic acid CAS Name: 4-[5-(4-amino-2-methoxyphenoxy)pentoxy]-3-methoxyaniline; methanesulfonic acid IUPAC Name: 4-[5-(4-amino-2-methoxyphenoxy)pentoxy]-3-methoxyaniline; methanesulfonic acid Traditional Name: [4-[5-(4-amino-2-methoxy-phenoxy)pentoxy]-3-methoxy-phenyl]amine; mesylic acid Formula: C21H34N2O10S2 MolecularWeight: 538.63206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N)OCCCCCOC2=C(C=C(C=C2)N)OC.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)N)OCCCCCOC2=C(C=C(C=C2)N)OC.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C19H26N2O4.2CH4O3S/c1-22-18-12-14(20)6-8-16(18)24-10-4-3-5-11-25-17-9-7-15(21)13-19(17)23-2;2*1-5(2,3)4/h6-9,12-13H,3-5,10-11,20-21H2,1-2H3;2*1H3,(H,2,3,4)