1-(butylamino)-3-[4-[(4-methoxyphenyl)-phenanthren-9-yl-methyl]phenoxy]propan-2-ol

Systemtic Name: 1-(butylamino)-3-[4-[(4-methoxyphenyl)-phenanthren-9-yl-methyl]phenoxy]propan-2-ol Openeye Name: 1-(butylamino)-3-[4-[(4-methoxyphenyl)-(9-phenanthryl)methyl]phenoxy]propan-2-ol CAS Name: 1-(butylamino)-3-[4-[(4-methoxyphenyl)-(9-phenanthrenyl)methyl]phenoxy]-2-propanol IUPAC Name: 1-(butylamino)-3-[4-[(4-methoxyphenyl)-phenanthren-9-ylmethyl]phenoxy]propan-2-ol Traditional Name: 1-(butylamino)-3-[4-[(4-methoxyphenyl)-(9-phenanthryl)methyl]phenoxy]propan-2-ol Formula: C35H37NO3 MolecularWeight: 519.67318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC(COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C3=CC4=CC=CC=C4C5=CC=CC=C53)O

Isomeric SMILES

CCCCNCC(COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C3=CC4=CC=CC=C4C5=CC=CC=C53)O

InChI

InChI=1S/C35H37NO3/c1-3-4-21-36-23-28(37)24-39-30-19-15-26(16-20-30)35(25-13-17-29(38-2)18-14-25)34-22-27-9-5-6-10-31(27)32-11-7-8-12-33(32)34/h5-20,22,28,35-37H,3-4,21,23-24H2,1-2H3