[2-(aminomethyl)-3-(6-ethoxyhexyl)-4-(4-pyrrolidin-1-ylphenyl)phenyl]methanamine

Systemtic Name: [2-(aminomethyl)-3-(6-ethoxyhexyl)-4-(4-pyrrolidin-1-ylphenyl)phenyl]methanamine Openeye Name: [2-(aminomethyl)-3-(6-ethoxyhexyl)-4-(4-pyrrolidin-1-ylphenyl)phenyl]methanamine CAS Name: [2-(aminomethyl)-3-(6-ethoxyhexyl)-4-[4-(1-pyrrolidinyl)phenyl]phenyl]methanamine IUPAC Name: [2-(aminomethyl)-3-(6-ethoxyhexyl)-4-(4-pyrrolidin-1-ylphenyl)phenyl]methanamine Traditional Name: [2-(aminomethyl)-3-(6-ethoxyhexyl)-4-(4-pyrrolidinophenyl)benzyl]amine Formula: C26H39N3O MolecularWeight: 409.60736

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCCCCC1=C(C=CC(=C1CN)CN)C2=CC=C(C=C2)N3CCCC3

Isomeric SMILES

CCOCCCCCCC1=C(C=CC(=C1CN)CN)C2=CC=C(C=C2)N3CCCC3

InChI

InChI=1S/C26H39N3O/c1-2-30-18-8-4-3-5-9-25-24(15-12-22(19-27)26(25)20-28)21-10-13-23(14-11-21)29-16-6-7-17-29/h10-15H,2-9,16-20,27-28H2,1H3