1-(6-chloranylphenanthren-3-yl)-2-(diheptylamino)ethanol

Systemtic Name: 1-(6-chloranylphenanthren-3-yl)-2-(diheptylamino)ethanol Openeye Name: 1-(6-chloro-3-phenanthryl)-2-(diheptylamino)ethanol CAS Name: 1-(6-chloro-3-phenanthrenyl)-2-(diheptylamino)ethanol IUPAC Name: 1-(6-chlorophenanthren-3-yl)-2-(diheptylamino)ethanol Traditional Name: 1-(6-chloro-3-phenanthryl)-2-(diheptylamino)ethanol Formula: C30H42ClNO MolecularWeight: 468.11358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CCCCCCC)CC(C1=CC2=C(C=CC3=C2C=C(C=C3)Cl)C=C1)O

Isomeric SMILES

CCCCCCCN(CCCCCCC)CC(C1=CC2=C(C=CC3=C2C=C(C=C3)Cl)C=C1)O

InChI

InChI=1S/C30H42ClNO/c1-3-5-7-9-11-19-32(20-12-10-8-6-4-2)23-30(33)26-16-15-24-13-14-25-17-18-27(31)22-29(25)28(24)21-26/h13-18,21-22,30,33H,3-12,19-20,23H2,1-2H3